data_2kg7_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 2kg7 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -52.01 -51.75 55.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.78 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.86 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -45.74 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -45.47 72.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.08 -26.68 73.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.445 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -25.43 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.943 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 42.5 tpp -65.75 -57.55 7.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -27.0 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.74 -38.51 91.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -65.06 -41.92 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.13 -48.56 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -46.76 66.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.7 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.75 -54.06 49.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -47.98 63.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.54 87.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -68.86 -38.86 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.88 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.6 -39.29 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.13 -54.82 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.89 -33.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.21 -34.79 42.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.84 -34.61 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.53 -31.42 66.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -74.6 -40.53 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.9 t -71.46 -44.08 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -49.5 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -60.29 -33.34 72.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.7 mt -76.22 -26.6 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.97 -30.16 63.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -77.03 -47.76 19.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 32.1 m -62.54 -34.46 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -71.72 -34.06 69.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.0 -35.56 72.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -81.15 -39.21 25.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.4 mt -75.88 -29.6 58.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.95 -75.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -51.96 -30.72 25.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.85 67.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -67.01 -54.79 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.57 -24.42 39.2 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 96.9 m -60.13 -34.6 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.25 -45.23 85.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -52.76 59.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 4.9 t -63.12 -34.12 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -47.35 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.43 91.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.29 -32.05 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.55 -40.43 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 68.3 mt -73.36 -32.6 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.78 -39.62 80.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 13.3 p -77.46 -31.05 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.44 -52.9 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -60.21 -29.66 68.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.23 -24.68 67.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.62 37.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -109.0 29.48 7.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.53 -45.75 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 25.0 p -55.37 -26.45 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.95 -27.28 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -54.77 146.33 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -93.46 -69.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.29 -19.98 46.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.68 26.27 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.2 p -118.8 -29.43 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.29 -91.98 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.1 mt -81.4 143.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.39 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.46 172.98 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -64.38 -39.26 93.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -73.94 -42.6 60.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.57 -41.79 83.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -59.39 -56.03 27.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.71 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -56.14 -50.01 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -51.97 -59.28 4.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -52.95 -47.45 68.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -62.23 -27.41 68.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.98 -54.44 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 80.7 mmm -57.14 -39.54 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.07 -56.09 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -70.71 -28.37 64.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.47 -51.24 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -52.36 -33.22 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.14 -28.55 58.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -85.7 -36.38 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -72.28 -19.07 61.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -48.22 67.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.044 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.359 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.6 -48.82 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.78 67.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -40.12 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.28 -50.5 73.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.96 -25.73 75.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -32.96 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.3 tpp -55.58 -58.69 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -30.29 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -75.64 -29.12 59.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 m -74.09 -33.03 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -61.0 -55.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.85 -39.07 96.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -58.53 -36.84 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 -45.84 58.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.5 t80 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.15 -54.06 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -45.72 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.73 -38.65 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -63.68 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.25 -31.01 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -63.6 -41.74 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.81 -54.7 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.45 -32.72 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -35.65 81.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.8 40.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.16 48.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.5 -30.77 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -48.23 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 t -64.67 -33.64 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -46.33 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -65.75 -31.71 72.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.2 mt -74.11 -26.41 60.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.1 mt -70.74 -30.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.6 -53.05 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.2 -32.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.21 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -71.7 -33.92 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.65 -34.76 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -81.09 -39.0 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.4 mt -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.87 -69.18 2.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.94 -37.12 51.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.879 0.371 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.03 -32.11 41.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -55.89 -56.32 22.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -53.69 -35.74 61.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.88 -25.81 31.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.3 m -64.67 -40.83 96.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.19 -38.14 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.59 -46.6 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.0 m -76.14 -41.91 48.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -52.83 60.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.67 -35.27 85.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.449 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.91 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.94 -39.06 84.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 5.9 mt -73.72 -35.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.48 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.34 -33.89 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -64.79 -37.38 87.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.438 HE21 ' N ' ' B' ' 638' ' ' ALA . 0.0 OUTLIER -66.6 -42.21 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . 0.438 ' N ' HE21 ' B' ' 637' ' ' GLN . . . -63.75 -29.41 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -76.07 -24.6 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.0 mt -114.28 38.96 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -63.46 -52.85 59.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.0 p -55.6 -26.08 41.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -52.52 143.9 14.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -90.22 -68.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.51 -26.17 24.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -96.56 26.16 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 47.0 p -119.58 -30.93 4.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.19 -110.02 0.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.7 143.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 111.191 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.17 171.24 8.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.22 -38.81 92.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -73.63 -42.65 61.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.41 -48.27 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -54.3 -49.11 70.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -51.64 -44.67 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.96 65.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -56.77 -51.73 67.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -58.47 -54.96 41.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -51.62 -52.5 47.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.8 -47.39 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -52.49 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -57.97 -33.27 68.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -70.81 -34.87 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 5.7 mt -71.19 -55.5 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 15.4 m -52.92 -44.57 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -71.08 -32.3 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.98 68.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -85.56 -44.73 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -68.01 -25.64 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.62 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 9.9 tmm? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.806 0.336 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -61.04 -50.62 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.11 -38.41 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.78 -39.36 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.77 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.5 -50.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.22 -27.53 73.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -33.3 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ttm -60.99 -58.6 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -52.02 -36.61 50.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.23 -45.36 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -64.17 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.15 -48.84 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.82 -32.09 81.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -39.78 66.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.29 -40.18 45.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.922 0.392 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -56.68 -54.17 49.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.35 -40.91 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.59 -29.65 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -74.84 -33.39 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -63.23 -43.6 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.34 -54.55 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.13 -32.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.51 75.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -36.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.08 -31.53 42.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.42 70.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -74.53 -52.62 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.67 -31.51 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -70.75 -53.64 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.3 m -56.0 -40.33 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 mt -64.03 -35.55 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.84 -46.26 90.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -65.91 -38.87 89.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.27 -33.02 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.51 -34.31 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.2 -33.37 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.17 -38.35 56.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.17 -32.87 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.06 -55.5 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.03 -50.71 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.782 0.325 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.06 90.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -37.46 83.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.43 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.99 -36.22 66.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.5 m -55.8 -44.85 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.88 -40.02 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -52.61 -51.17 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 31.3 t -76.06 -30.45 58.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -52.65 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.06 -37.64 94.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.38 -36.44 61.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.09 -34.83 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.23 -38.61 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 87.2 t -75.21 -31.58 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.87 -52.07 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -60.67 -29.73 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.26 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.77 -25.41 44.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.35 27.11 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -53.13 -43.21 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.1 p -62.09 -26.52 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.31 -32.56 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.66 135.52 34.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.48 -69.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.99 -20.1 46.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -96.01 26.06 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 12.1 p -119.63 -30.94 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.43 -98.38 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.33 143.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.47 176.28 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -67.14 -38.49 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -73.52 -40.23 64.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.01 65.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -59.69 -42.23 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -58.65 -55.95 28.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.2 -52.52 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -52.01 -52.87 47.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -51.87 -51.84 53.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -54.2 -46.15 72.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -57.02 -54.17 49.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -54.49 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -33.11 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -71.0 -47.67 57.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 4.4 mt -58.46 -42.56 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.12 -44.42 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -70.31 -34.53 72.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.83 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -72.59 -57.63 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.98 -18.25 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.12 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.62 -51.71 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -38.47 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 -44.02 51.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.03 90.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.37 70.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.08 -25.89 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -58.69 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.96 -26.1 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -70.12 -31.48 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -68.41 -42.79 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.2 mp -73.09 -49.52 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.76 65.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -72.93 -34.03 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.37 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.742 0.306 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.45 -54.01 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.41 -49.71 61.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.07 87.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.02 65.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -64.15 -40.52 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.04 -54.71 29.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.5 -33.01 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.27 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.57 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.8 -35.66 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.49 -35.65 68.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -74.5 -47.99 29.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.3 t -56.79 -37.21 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -43.83 64.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.2 m -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.27 -26.43 55.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.18 -29.88 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.2 -49.02 14.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.6 m -61.53 -32.94 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.1 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -71.35 -33.9 70.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.24 71.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.405 HD21 ' N ' ' A' ' 75' ' ' ASN . 1.5 m-80 -81.14 -37.82 28.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.4 mt -76.6 -29.4 56.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.48 1.23 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -35.2 45.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.811 0.338 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.44 -33.73 47.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -41.05 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.8 -33.15 34.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.05 -24.54 35.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 62.6 m -56.18 -39.18 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 26.4 mt -60.8 -36.53 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -52.53 41.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -53.02 55.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 10.2 tp -60.63 -37.85 82.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.17 57.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.3 -34.13 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.75 -42.28 75.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 72.4 mt -73.32 -32.52 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.45 -53.09 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.2 -31.21 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -44.76 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -39.43 88.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -68.08 -24.56 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.63 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.1 mt -117.78 34.92 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -54.16 -52.75 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -26.01 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -71.02 -29.18 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -62.73 140.11 58.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -91.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 109.91 -19.7 27.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.89 26.09 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 17.6 p -119.8 -31.03 4.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 166.4 -115.12 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.0 mt -54.12 143.15 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 171.45 8.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.09 -39.44 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -73.91 -41.41 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.3 76.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -59.99 -38.36 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.43 -55.97 27.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.15 -42.69 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -56.07 -49.41 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -59.49 -59.4 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -51.75 -49.71 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.22 -34.51 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.69 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 83.9 mmm -56.88 -43.45 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.15 -55.96 17.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.81 -28.34 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -37.48 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 40.5 t -71.72 -51.15 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -52.75 -34.16 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.29 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -85.69 -51.97 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -55.53 -25.99 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.03 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 6.0 tmm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.782 0.325 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -69.37 -51.78 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.66 69.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.37 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.7 -36.68 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.08 -48.35 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.16 -38.29 63.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -26.07 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.0 ttm -66.96 -58.79 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -28.86 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.62 -33.56 76.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -68.89 -40.18 79.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.2 mp -73.16 -50.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.58 -45.92 66.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.43 71.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.2 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.71 -54.01 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -51.75 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.64 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -63.96 -36.3 83.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.78 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -66.78 -34.94 78.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.58 -54.8 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.66 -34.14 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.67 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.84 40.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.79 -31.44 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.06 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.47 -52.67 11.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.65 -31.56 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.98 -53.46 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -55.82 -46.4 78.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.3 mt -58.47 -35.4 72.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.82 -45.84 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.98 -36.54 83.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.9 t -70.11 -33.08 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.06 76.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -34.51 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.48 -40.73 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.81 -32.16 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.62 -65.38 3.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.05 -38.06 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.855 0.36 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.46 -34.07 54.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.82 -33.92 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.84 -24.37 41.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 13.1 m -67.39 -52.51 39.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 19.5 mt -56.8 -36.55 70.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -51.99 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -30.49 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -50.95 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.11 94.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.2 -38.22 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.84 -40.28 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 78.9 mt -73.16 -47.14 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.19 -32.87 62.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.34 -31.21 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -52.81 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -56.46 -29.69 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.15 -27.02 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.6 mt -100.0 25.94 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -51.91 -46.0 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 96.5 p -55.42 -26.57 42.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.26 -36.19 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -52.86 147.79 8.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -96.9 -70.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.66 -26.31 21.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -98.41 28.15 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 3.2 p -117.19 -25.26 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.94 -78.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.01 143.25 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.119 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.27 174.4 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.61 -38.27 88.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.48 -41.17 63.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.2 55.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -54.4 -53.86 48.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -53.26 -28.6 28.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -55.17 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.16 -50.85 70.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.99 -51.46 57.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -52.01 -50.18 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -59.34 -41.39 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.88 -54.11 43.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -55.43 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -52.74 -34.63 53.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.41 -41.41 73.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.2 -45.93 89.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.05 -51.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -70.33 -32.28 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.23 65.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -68.35 -44.75 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -60.83 -22.75 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.26 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.3 tmm? . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.79 -51.62 65.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.66 84.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.99 65.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -40.29 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.27 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.05 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.34 -35.48 92.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.38 -37.66 88.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.3 tpp -57.36 -58.86 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -56.4 -25.94 51.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -74.78 -29.2 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -69.31 -45.78 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mp -73.23 -47.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.72 63.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -72.9 -34.13 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.91 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.5 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.815 0.341 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.0 -54.04 51.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.48 -47.58 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.2 93.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -63.69 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.88 65.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -64.57 -39.35 93.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.09 -54.83 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.9 -32.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.35 -40.74 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.48 -31.44 23.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.41 -30.34 62.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.37 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.81 -35.3 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -66.88 -44.16 81.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -69.89 -35.77 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.0 -26.61 62.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.22 -30.09 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.72 -55.06 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.03 -32.92 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.1 77.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.6 22.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -58.77 -33.97 70.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.17 -29.27 31.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.53 -65.51 2.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.07 -48.77 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.033 0 CA-C-O 120.875 0.369 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.08 -47.81 59.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -55.2 -56.6 18.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.81 -40.93 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.53 -24.89 48.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.414 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.0 m -66.83 -39.08 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.78 -44.39 90.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -42.12 64.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.0 m -75.99 -31.12 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -52.72 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.9 -33.84 56.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.24 76.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.084 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.9 -43.71 77.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 50.5 mt -72.95 -34.0 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.28 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 99.5 t -56.27 -51.38 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -53.39 -37.28 62.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.532 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.81 -32.1 63.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.86 58.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.18 -25.29 36.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.79 28.34 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . 0.532 ' NE2' HE21 ' B' ' 637' ' ' GLN . 7.2 mm-40 -54.65 -38.95 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.4 p -62.63 -26.51 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.66 -31.18 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -52.05 149.26 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -94.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.97 32.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -144.8 26.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 29.8 p -118.63 -29.77 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 174.63 -79.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.4 mt -93.0 144.14 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 111.085 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.49 171.42 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.03 -38.64 91.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.02 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -54.43 -53.66 51.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -52.25 -29.72 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -53.51 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.27 -50.35 71.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -52.05 -50.99 60.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -59.32 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.82 -45.88 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.3 48.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -50.39 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -54.89 -38.59 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -66.1 -45.8 79.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.64 -43.56 93.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 20.3 t -60.76 -51.26 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -65.56 -31.67 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.53 65.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -83.13 -46.75 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -62.0 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.75 -50.2 38.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 14.5 tmm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.853 0.359 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -77.86 -48.79 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -30.83 31.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -52.01 45.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -50.75 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.13 -25.68 74.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -79.92 -33.63 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -59.07 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -57.51 -23.72 51.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.13 -39.62 29.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -51.86 -43.56 63.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.92 -45.85 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.83 -45.08 70.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.484 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -39.97 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.78 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.7 t80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.96 -47.73 81.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.87 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.91 -28.61 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -62.88 -53.56 52.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.12 -31.04 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -68.42 -36.46 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.99 -53.96 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 p -53.3 -36.89 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.36 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -44.65 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.47 -31.6 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.14 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -59.92 -52.45 65.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.9 t -54.6 -52.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -30.57 29.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.4 m -79.65 -27.4 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.7 mt -74.83 -40.63 60.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.09 -50.97 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -59.23 -32.24 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.3 t -76.08 -37.52 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.29 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -71.4 -33.9 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.37 77.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.52 -38.13 62.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.0 mt -74.67 -25.89 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 -72.45 1.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -45.98 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.811 0.338 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.22 -31.81 59.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -43.98 94.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.06 -47.82 64.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.52 24.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 26.6 m -60.68 -36.75 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 0.0 111.137 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.45 -46.14 81.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -52.64 -40.83 63.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -32.82 59.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -44.16 74.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.5 88.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.33 -31.87 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.89 -41.64 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 8.3 mt -72.95 -32.61 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.15 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.27 -31.77 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.88 -52.93 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.21 -29.81 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.88 -25.78 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.15 -26.03 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.3 mt -101.09 25.43 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -52.1 -51.06 60.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -26.42 59.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.33 -31.65 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -52.02 149.14 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.43 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 81.63 16.93 71.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.7 -27.2 6.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.6 p -77.64 -30.42 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -173.06 -120.66 0.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.89 143.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 174.62 6.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -62.84 -40.87 98.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -74.71 -42.66 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.32 79.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -70.02 -54.27 13.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.59 -28.05 30.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.09 -26.51 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -76.28 -53.0 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -56.7 -41.73 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -49.99 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.96 -46.09 86.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -57.3 -54.74 43.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -57.47 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.25 -33.74 42.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -66.72 -50.48 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 2.0 mt -57.14 -48.75 77.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 32.5 t -52.15 -49.3 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -70.42 -30.52 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.08 -38.78 71.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -70.17 -52.75 21.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.97 -23.3 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.93 62.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 57.8 ttp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.795 0.331 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.1 -45.47 94.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -34.38 39.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.05 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -49.88 14.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.77 -37.91 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.04 -25.72 74.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.6 -30.23 52.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.87 -58.72 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -56.05 -25.6 45.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -74.69 -32.26 62.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -67.94 -46.41 71.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.19 -47.47 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.02 -46.81 68.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -73.04 -43.11 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.72 68.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.3 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.53 -54.07 50.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.72 -47.22 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.43 91.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -67.49 -40.33 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.77 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -67.5 -32.63 73.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -71.91 -55.15 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.65 -32.42 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.84 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -41.52 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.54 -37.9 51.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.21 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -57.26 -52.86 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.19 -53.29 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -36.19 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.1 m -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.6 mt -71.88 -48.07 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.4 -33.68 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -32.67 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.6 t -76.89 -34.1 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.19 77.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.02 -40.85 82.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.47 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.7 -38.69 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.2 -28.03 62.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 -71.72 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -43.32 65.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -42.88 60.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -57.15 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.77 -32.94 46.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.57 24.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.7 m -64.67 -38.84 92.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.32 -39.59 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.62 -50.11 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.4 t -64.26 -53.21 52.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 9.0 tp -61.76 -34.88 76.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.83 93.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.44 78.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -55.9 -42.3 75.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 78.3 mt -73.26 -35.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.61 -42.39 82.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.7 p -77.42 -31.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.82 -50.48 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -69.99 -29.71 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.25 62.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.28 -24.65 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.92 25.66 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -55.22 -49.11 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.7 m -55.43 -26.32 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.48 -30.87 42.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -52.08 150.24 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -96.4 -65.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.1 -28.99 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.78 25.94 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.813 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 4.1 p -126.96 24.64 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.52 -106.32 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 54.6 mt -78.33 144.18 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 0.0 111.106 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.36 170.83 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -60.89 -42.07 97.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.16 -42.05 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.57 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -70.2 -53.75 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -53.81 -28.79 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.75 -23.89 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -76.35 -51.55 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -51.9 -49.4 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -58.08 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -56.73 -48.57 77.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.7 34.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 28.6 tpp -55.59 -43.03 75.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -53.54 -56.49 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.43 -28.25 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -37.1 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 99.4 t -66.94 -51.47 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -59.15 -30.41 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -55.96 -26.97 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -85.77 -52.23 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.14 -25.28 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.34 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -57.18 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.76 -39.58 74.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.62 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -42.1 49.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.25 68.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.74 -25.69 74.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -74.63 -26.72 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.1 tpp -60.57 -58.64 7.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -57.06 -25.65 59.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -69.1 -39.13 79.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -45.64 91.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.09 -46.51 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.08 84.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -73.08 -41.64 63.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.62 -28.87 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.0 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.73 -54.01 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -50.98 59.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.58 89.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -64.12 -36.45 84.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.75 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -69.09 -54.75 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.99 -33.57 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.83 98.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.28 -41.56 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 -33.18 35.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.09 99.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -62.94 -52.57 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.53 -31.61 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -71.17 -50.77 29.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 m -59.62 -49.47 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.5 -28.43 44.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.59 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.984 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.4 -51.6 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.8 m -59.82 -32.92 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.09 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -70.11 -33.94 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.85 -36.4 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -81.24 -39.12 25.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.7 mt -75.64 -29.23 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.77 -75.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 -32.25 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.67 -49.19 76.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -55.64 20.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.48 55.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.85 -24.64 34.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 32.7 m -59.91 -42.69 94.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 111.13 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.13 -47.12 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -37.74 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -53.06 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.4 -38.88 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.95 -52.44 35.02 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.51 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.306 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -55.88 -42.01 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 70.7 mt -73.48 -32.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.44 -53.15 38.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.27 -31.67 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.58 -41.91 98.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -37.51 86.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.79 -22.19 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.5 mt -117.16 36.02 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -56.38 -49.48 74.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -26.11 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.2 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -58.4 144.07 43.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -92.54 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 106.36 -21.58 32.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 26.33 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 56.5 p -119.68 -31.13 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.93 -117.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 55.8 mt -54.45 143.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.12 170.67 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -63.82 -38.91 92.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.67 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.19 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.46 -41.61 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -52.75 -56.04 18.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.35 78.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -56.24 -50.89 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -61.06 -56.13 24.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -50.88 -48.97 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -63.37 -35.23 79.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -67.79 -54.91 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 38.5 tpp -58.16 -39.66 79.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -55.39 -56.14 23.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.47 -28.15 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -37.49 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 99.1 t -67.11 -51.21 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -65.99 -38.9 89.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.25 -25.07 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -85.47 -57.56 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -23.5 62.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -37.22 59.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.9 ttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -72.28 -51.78 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.19 -31.11 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.82 85.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -38.48 59.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.74 89.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.13 72.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -27.4 65.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -58.69 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.46 -26.21 41.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -72.9 -29.84 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -45.37 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.22 -47.81 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -46.83 65.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -72.96 -34.05 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.51 -27.63 65.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.319 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.95 -47.85 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.4 -56.93 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.99 -28.5 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -62.85 -53.12 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.14 -30.85 68.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -68.11 -38.73 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.8 -54.28 16.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.53 -36.98 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.47 33.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.75 68.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.77 -38.12 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.24 -47.65 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.9 t -60.47 -46.11 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -50.35 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.3 m -54.5 -46.14 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.19 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.05 -44.99 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.24 -52.79 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -49.52 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.7 t -56.56 -33.06 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.44 80.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -69.68 -35.78 75.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -79.96 -40.81 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.75 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.31 -69.27 2.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.529 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.53 -32.39 50.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.857 0.361 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.46 -32.61 45.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -41.35 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -53.07 -45.05 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.9 -24.97 35.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 56.8 m -57.4 -35.09 69.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 54.0 mt -68.16 -44.36 76.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -36.91 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.3 m -75.93 -53.1 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 4.1 tt -57.85 -52.64 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.61 -36.51 48.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.46 -32.08 48.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.96 -34.08 77.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.28 -38.73 54.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.42 72.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 85.1 t -76.02 -31.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -51.4 45.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -64.98 -30.16 71.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.83 -25.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.24 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 11.2 mt -101.91 28.67 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.25 -50.15 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 94.7 p -57.61 -27.15 62.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.58 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -52.13 149.67 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -95.52 -72.28 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.8 -18.73 49.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -95.86 26.15 4.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -118.38 -28.28 5.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 167.24 -80.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.83 143.16 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.381 . . . . 0.0 111.18 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 174.29 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.99 -38.51 88.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -73.63 -41.19 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.11 -42.67 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -62.14 -42.73 99.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.7 -55.82 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.69 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -58.96 -52.72 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -53.42 -58.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -55.95 -54.68 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -52.79 -34.18 52.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.41 -54.25 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -38.63 54.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -55.38 -55.97 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.806 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -28.37 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -37.36 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 46.4 t -72.66 -47.93 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -51.77 -31.54 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.45 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -84.9 -51.1 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.0 -48.44 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.89 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.901 0.381 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -55.06 -51.15 67.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.99 62.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.39 96.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -38.37 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.94 -32.07 69.83 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -28.75 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -58.8 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -58.23 -26.12 62.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.65 -26.92 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -46.51 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.17 -47.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -47.51 64.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -72.98 -34.08 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.01 66.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.89 -54.06 21.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -45.93 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.33 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -68.28 -38.68 81.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.3 -30.95 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.05 -42.38 99.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.25 -54.7 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.94 -32.72 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.8 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.57 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.97 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.28 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -70.2 -49.84 46.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.5 t -57.34 -44.59 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -49.33 73.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.8 m -57.06 -36.28 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.3 mt -76.18 -33.37 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -47.92 68.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.8 t -54.81 -33.13 27.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.96 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -68.69 -35.64 77.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.37 74.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -79.86 -38.89 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.8 -31.98 63.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.35 -70.4 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -31.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.05 -36.67 52.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.65 -48.13 82.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.78 -41.93 62.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.49 -36.19 46.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.9 m -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.4 mt -67.33 -57.7 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.74 -35.55 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 41.9 t -75.68 -37.15 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 5.8 tt -69.05 -43.26 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.3 -45.41 58.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.66 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -55.96 -44.09 78.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.25 -32.53 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.26 -40.42 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.41 -31.19 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.89 -52.83 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -65.03 -29.71 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.29 -24.7 65.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.62 -24.87 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.3 mt -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -56.05 -47.85 77.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -26.73 39.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.36 -30.94 62.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -53.26 149.53 7.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -93.2 -70.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.23 6.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.404 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.19 26.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 72.8 p -119.83 -30.86 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.28 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.0 mt -102.47 142.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.95 175.01 5.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -66.27 -38.4 87.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -73.37 -41.17 63.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.73 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -59.04 -48.47 81.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -54.25 -27.42 34.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.44 -27.33 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -75.79 -52.38 10.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -51.96 -58.98 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.34 -57.84 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -52.94 -30.34 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -69.16 -54.77 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 70.4 mmm -60.65 -30.09 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.8 -56.21 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.9 -28.29 58.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -48.39 64.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.0 -30.4 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -65.87 -30.64 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.18 -27.04 52.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -85.66 -57.02 3.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -57.09 -27.0 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.34 -47.79 39.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 27.8 ttp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -74.01 -45.67 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.19 -30.27 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.93 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -75.82 -23.64 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.05 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.06 -33.22 69.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.78 -24.25 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -56.08 -25.67 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -77.89 -25.87 48.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -71.92 -44.94 62.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.19 -46.45 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.68 68.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -72.91 -34.43 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.24 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.55 -53.27 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.76 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.95 -38.54 88.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -65.2 -36.26 83.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.11 65.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -64.19 -39.71 94.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.77 -54.76 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.31 -33.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.89 81.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.38 -37.54 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.1 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.13 64.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -39.93 64.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 t -66.85 -45.81 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -42.59 98.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -71.02 -34.52 71.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.4 mt -76.25 -26.47 56.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.72 -30.03 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -54.21 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.3 m -55.47 -34.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.17 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -71.74 -54.04 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.6 -52.71 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -59.17 -21.41 59.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.06 -14.92 30.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.47 -86.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.55 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -33.13 21.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.83 -32.85 41.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.28 -35.76 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.365 . . . . 0.0 110.92 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.27 -25.07 31.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.8 m -56.19 -45.25 79.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.0 -39.5 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -53.52 -41.87 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.3 t -75.86 -34.99 60.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -52.79 53.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.2 -51.18 52.45 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.31 -42.57 66.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.72 -43.98 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 69.5 mt -73.41 -38.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.51 76.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 84.9 t -77.55 -31.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.81 -52.82 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -59.67 -29.6 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.4 -29.22 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.32 -23.43 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.66 25.48 5.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.91 -30.68 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.5 t -74.03 -26.34 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.4 -25.41 57.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -63.58 121.25 13.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 -26.27 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.42 27.0 24.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.17 20.77 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 18.7 p -120.3 -31.05 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 178.12 -99.62 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 56.1 mt -65.8 143.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.413 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.86 164.94 12.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -60.45 -40.54 91.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -74.11 -41.54 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.3 68.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -54.52 -52.51 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.52 -30.03 18.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.99 -51.09 7.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.54 -47.33 79.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -51.9 -59.14 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -38.69 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -68.82 -35.74 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -69.94 -54.88 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 34.3 mmm -59.94 -48.77 80.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -55.3 -32.77 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -72.23 -50.61 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.67 -47.72 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 42.1 t -51.3 -50.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -70.42 -31.31 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.43 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -62.03 -56.75 15.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -59.46 -21.9 60.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.7 -38.91 61.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 6.9 mtp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.747 0.308 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -52.77 -51.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -34.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.15 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -19.52 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.19 73.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.32 -25.65 41.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -23.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -56.24 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -61.85 -24.06 66.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.14 -50.02 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -54.3 -50.32 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.77 -48.15 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.62 -46.16 89.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -72.86 -39.54 66.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.38 -27.77 67.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.778 0.323 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -54.31 -53.19 57.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.45 -53.26 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -64.56 -35.94 82.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -30.64 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -68.84 -32.63 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -73.51 -54.04 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.78 -32.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -44.24 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.18 62.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.61 -40.1 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -63.97 -46.42 84.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.53 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -49.1 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.9 m -55.34 -49.73 71.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.8 -29.04 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.43 -43.37 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -74.42 -32.24 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.52 -34.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.51 -50.29 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -62.01 -33.31 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.4 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -69.53 -36.24 76.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.75 -33.36 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.27 -59.51 3.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.46 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -53.21 40.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.91 0.386 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.65 96.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.45 -47.52 83.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.75 -42.77 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -61.96 -27.08 68.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 54.6 m -61.39 -33.91 74.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.883 0.373 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.2 -47.3 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.87 -43.12 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 t -70.48 -30.48 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -52.83 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.63 93.64 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -55.53 -32.36 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -66.45 -31.99 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.24 -41.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.68 98.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.7 -31.13 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.51 -52.66 14.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -61.85 -29.62 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.58 -24.68 36.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 12.5 mt -106.55 32.46 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -40.48 96.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.05 50.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -57.08 142.16 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 92.62 2.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -69.17 -6.66 54.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.03 -14.13 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.9 p -105.14 -31.07 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.68 -134.84 1.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.42 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 63.6 mt -53.65 137.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 158.77 19.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -55.63 -41.17 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.92 -42.72 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.42 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -54.28 -49.74 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -29.7 18.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.95 -48.59 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.98 -50.72 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -51.8 -59.26 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.74 -52.67 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -52.24 -32.88 38.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.18 5.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -31.35 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.29 -53.84 49.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -74.69 -26.7 60.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -58.4 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.49 -41.8 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -72.63 -31.17 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -58.69 -25.63 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -85.6 -58.2 2.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -58.8 -55.49 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.02 -46.92 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 59.3 ttp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.822 0.344 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -54.22 -42.51 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.71 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.21 -51.77 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.22 -38.67 90.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.59 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.15 -27.64 69.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -33.2 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ttm -56.92 -57.49 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.99 21.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -76.33 -35.89 58.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -48.62 73.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -66.92 -47.49 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.66 -45.82 67.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -73.01 -44.09 61.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.43 78.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.775 0.322 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.4 -53.98 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.06 61.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.23 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.57 -37.26 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.99 65.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -65.74 -36.89 84.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.41 -54.77 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.35 -33.88 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.25 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.51 -36.09 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.43 -30.56 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -42.62 66.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.72 -47.05 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -51.18 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.9 m -55.16 -37.86 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.0 mt -76.27 -37.3 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.7 -34.44 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.87 -44.13 21.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.46 -37.41 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.03 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -68.98 -34.06 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.0 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.12 -33.4 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.71 -31.21 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.15 -63.45 3.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.92 -44.14 82.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.762 0.315 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.99 -56.08 26.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -73.09 -32.24 64.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.357 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.21 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.11 -25.82 18.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.426 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.1 m -55.56 -36.07 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.81 -47.92 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.19 -37.62 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 m -71.18 -32.12 68.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -50.13 68.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -47.14 54.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.73 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.729 0.3 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.74 -43.86 76.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 50.1 mt -73.23 -32.66 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.18 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.19 -51.21 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -53.51 -37.55 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.7 -31.87 63.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.24 -24.65 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.36 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.4 mt -107.32 26.94 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -52.1 -46.55 65.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.2 m -55.38 -26.47 41.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.71 -30.41 40.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -53.97 148.39 10.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -97.95 -60.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.96 -21.0 42.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.45 -25.45 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.7 p -66.94 -29.1 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.17 -114.7 0.57 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 62.1 mt -53.93 143.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.51 175.95 5.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.5 -39.2 91.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -73.89 -40.31 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.07 74.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -66.7 -54.06 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -53.33 -28.5 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -84.22 -54.35 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.16 -50.66 70.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -52.05 -55.88 17.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.75 -47.19 64.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -62.46 -32.57 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.55 17.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 34.8 mmm -58.42 -52.38 65.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.13 -32.54 35.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.37 -51.31 21.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.01 -47.2 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.49 -51.24 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -70.58 -30.31 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -55.66 -50.06 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.86 -49.09 77.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -63.62 -22.12 66.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.84 -38.72 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 45.0 ttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -70.4 -44.24 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.66 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.72 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -28.47 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -50.54 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.62 74.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.547 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -28.94 49.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -58.79 6.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -42.41 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -55.63 -25.87 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -78.04 -40.82 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.98 -46.65 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.89 -28.83 73.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -35.6 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 -34.73 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.842 0.354 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.77 -54.09 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.06 -47.29 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.25 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -70.92 -38.53 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.0 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.26 -54.76 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.02 -32.44 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.68 86.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.24 -37.42 38.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.3 -31.48 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -35.24 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -50.08 38.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.03 -44.45 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.12 -41.68 93.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.1 m -70.87 -32.29 69.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.9 mt -76.2 -26.57 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.51 -29.64 61.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -80.07 -53.3 6.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.2 m -54.28 -38.04 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.16 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -57.5 -33.29 67.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.13 -27.87 59.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -82.01 -43.59 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.77 -22.17 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 -78.23 0.71 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.2 -30.96 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.037 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.784 0.326 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -66.6 -42.92 93.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -61.08 -49.64 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.32 -36.88 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.058 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -73.26 -24.46 75.36 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.403 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.3 m -55.62 -43.72 76.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.127 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.87 -39.17 79.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -52.63 -45.8 66.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 23.1 t -76.17 -39.97 53.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -52.7 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.79 -35.25 90.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.442 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -56.1 -32.55 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.47 -35.68 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 80.0 mt -73.51 -41.52 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.14 96.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.24 -31.05 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -52.89 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.58 -26.55 63.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.19 -24.13 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.89 24.5 6.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -51.51 -49.49 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 17.6 m -61.03 -24.76 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.13 -22.78 38.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -51.44 147.97 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -106.35 -41.62 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 63.82 14.54 55.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.539 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -111.38 23.75 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.969 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.7 p -116.02 -27.97 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 159.14 -48.13 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 48.6 mt -105.25 141.96 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.389 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.94 167.12 11.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -59.91 -41.17 91.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.33 -42.72 58.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.56 74.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -54.46 -54.63 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -53.07 -28.78 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.04 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -76.16 -52.56 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -51.88 -46.68 64.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -53.15 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -58.11 -48.0 81.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.23 48.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -57.77 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.21 -33.04 39.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -68.32 -46.85 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 2.2 mt -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 78.8 t -53.36 -53.01 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.69 66.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.1 -42.49 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -75.12 -51.62 13.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -58.3 -22.75 54.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -40.51 63.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 tmm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.835 0.35 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -52.14 -49.54 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.4 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.83 -44.93 74.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -31.67 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.64 -50.21 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.47 -29.98 75.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -25.37 60.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -58.77 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -60.78 -39.24 88.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.09 -44.18 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -63.58 -35.56 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.1 mm -72.92 -37.46 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.79 -40.01 95.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.58 -49.78 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.24 -27.98 62.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -62.24 -54.12 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -55.06 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.3 95.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -61.74 -39.03 90.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.96 66.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -64.9 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.87 -54.91 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.03 -33.63 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.32 88.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -35.62 40.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.51 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -52.73 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.23 -31.68 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.72 -51.5 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.1 m -58.28 -52.12 66.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -52.94 -39.7 63.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.6 -41.34 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -79.84 -32.29 40.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.97 -51.5 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.26 63.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -62.92 -33.72 75.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.57 -51.45 59.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -66.66 -39.32 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.9 mt -70.72 -30.19 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.18 -79.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.85 -29.03 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.79 0.329 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.98 -45.83 61.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -53.59 -56.33 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.96 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.88 -38.28 55.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.93 -24.43 49.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -75.78 -30.97 59.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.35 -42.17 99.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -52.84 28.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 2.6 m -59.82 -52.93 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 15.9 tp -54.22 -52.76 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.6 -45.59 54.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 72.4 mt -73.11 -38.46 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.74 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 67.2 t -76.39 -35.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.03 -50.6 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -64.75 -29.89 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.4 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.0 mt -99.83 24.58 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -56.82 -43.0 80.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -56.97 -26.03 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.04 -26.13 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -51.62 146.44 7.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 93.89 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -73.77 -2.83 61.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.5 -15.26 63.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.953 0.406 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -30.66 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.55 -133.57 1.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 62.2 mt -53.73 137.66 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.35 160.31 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -57.17 -40.74 77.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -73.98 -42.45 60.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.92 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -54.42 -51.18 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -51.96 -29.44 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.4 -27.38 20.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.22 -52.99 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -52.53 -52.76 53.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.63 -46.75 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -60.72 -42.63 97.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -65.46 -54.38 29.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -50.11 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -33.15 56.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -73.48 -43.35 60.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.58 -56.02 27.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 19.7 m -55.72 -39.02 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -70.41 -35.53 73.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.3 64.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -62.74 -47.17 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.51 -27.29 68.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.56 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 25.1 ttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.333 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.01 -51.81 54.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.87 54.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -33.89 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.11 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -30.48 77.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.27 -31.58 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 29.7 tpp -64.43 -58.68 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -29.15 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.93 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.4 -41.73 93.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mp -73.07 -47.77 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.43 64.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -72.95 -35.78 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.9 -54.07 49.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.37 -31.42 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.19 -36.97 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -66.14 -35.54 80.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.01 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -63.53 -42.09 98.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.47 -54.69 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.63 -32.77 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -35.07 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.29 -39.27 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.26 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -32.44 65.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tmtp? -74.53 -39.95 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.1 t -70.72 -44.81 76.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.82 -49.69 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -59.25 -35.13 73.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.7 mt -73.45 -43.13 60.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.82 -44.43 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.95 -43.23 93.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.6 t -65.93 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.05 72.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -71.65 -36.91 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.46 88.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -73.14 -42.33 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 99.0 mt -71.34 -30.08 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.83 -73.22 1.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -30.2 24.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.842 0.353 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.9 -31.67 55.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -62.01 -42.36 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.62 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -63.92 -26.03 69.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 25.4 m -56.81 -43.87 81.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.199 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.37 -47.4 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -51.89 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 1.1 tt -74.35 -33.91 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.67 -49.13 67.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.85 68.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.37 -44.47 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 62.6 mt -73.16 -39.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.14 -32.26 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 89.5 t -77.15 -32.66 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -65.53 -52.49 52.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -62.57 -29.66 70.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.55 -25.03 36.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.9 mt -107.05 25.99 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -52.12 -51.44 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -26.22 43.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.68 58.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -52.09 148.53 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.11 -72.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.4 -17.88 52.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -95.9 26.16 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 30.9 p -119.22 -30.32 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.22 -83.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.9 mt -88.03 143.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.7 175.5 5.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -66.84 -38.67 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -73.67 -40.25 63.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.37 -41.89 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -63.09 -40.38 97.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.25 -55.98 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.23 -43.93 80.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -56.16 -51.79 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -52.03 -59.15 4.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -52.1 -46.0 65.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -63.01 -29.16 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.58 -54.48 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 83.8 mmm -56.88 -38.77 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.4 -56.14 23.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.83 -28.36 64.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -37.1 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 54.8 t -72.19 -49.7 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -59.36 -30.64 68.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.12 -30.48 62.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -85.75 -37.4 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.85 -18.58 61.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.52 63.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.759 0.314 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.05 -50.73 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.17 -46.37 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.06 88.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -43.32 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.46 70.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -32.26 83.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.414 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -26.8 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.5 tpp -60.72 -58.71 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -55.55 -26.1 41.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.5 -32.01 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -69.66 -41.72 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.2 mp -73.15 -50.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.42 68.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -72.87 -34.13 66.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.34 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.783 0.325 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.56 -54.07 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.47 -43.94 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.74 -42.15 86.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -61.01 -42.91 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.92 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -66.85 -33.54 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -70.81 -54.99 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.05 -34.17 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.06 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -37.63 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.54 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.33 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -61.68 -52.76 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.07 -31.42 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.94 -53.71 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.0 m -54.12 -47.02 72.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.84 -39.66 92.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -45.46 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.76 -48.8 62.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.2 t -54.47 -33.09 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -50.1 75.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.55 77.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.26 -37.23 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.66 -30.23 61.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 -76.94 0.94 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.416 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.33 -30.48 28.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.448 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -70.19 -56.38 6.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.6 -42.61 62.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -57.85 -24.41 53.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 15.5 m -66.0 -45.6 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.14 -36.57 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.97 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 10.4 t -73.57 -53.19 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -32.6 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.11 -48.72 77.47 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -55.94 -41.02 74.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 75.9 mt -73.16 -36.51 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.94 -29.1 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -67.58 -51.83 45.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -64.5 -29.79 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.16 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.21 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.73 25.61 9.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -52.01 -48.2 64.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 2.3 m -57.91 -26.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.15 59.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.01 150.2 4.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -93.39 -66.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.6 -29.52 12.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -97.99 25.33 6.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.969 0.414 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 81.2 p -126.87 24.46 6.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.75 -106.12 0.9 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.6 mt -79.38 143.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.21 173.57 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.29 -38.66 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.53 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.52 -44.03 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -60.36 -41.9 94.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -57.39 -55.85 29.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.25 87.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -56.25 -52.85 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -53.51 -55.85 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -51.53 -44.47 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -65.19 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.76 -55.14 6.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.42 -40.82 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.43 -55.8 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -69.03 -28.48 66.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.45 76.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.33 -52.08 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -68.2 -30.49 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.85 46.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -85.77 -57.92 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -58.53 -22.04 54.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.89 -30.68 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.807 0.336 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -74.55 -51.7 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.37 70.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.44 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -35.09 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -49.4 69.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.15 -37.43 94.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.412 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.6 -36.85 79.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -58.34 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -54.18 -27.37 33.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -69.24 -43.67 73.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -60.93 -47.76 84.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.71 -47.07 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.98 -46.56 76.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.0 -43.33 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.8 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.21 -54.05 49.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.94 -48.63 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -68.11 -41.98 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.86 -30.82 67.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -67.15 -33.74 76.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -70.76 -54.82 10.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.9 -33.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.09 97.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.22 -35.69 41.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.87 58.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.67 70.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -72.85 -52.6 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.75 -31.68 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.89 -53.62 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -56.08 -40.41 73.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.43 -26.58 66.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.87 -30.12 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.36 -51.57 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.817 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.7 m -58.42 -32.91 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.26 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -71.64 -34.06 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.26 -30.91 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -80.88 -43.36 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.8 mt -75.66 -25.22 56.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.98 -71.37 1.95 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.581 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -52.23 -38.91 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.907 0.384 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.35 -31.99 57.24 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -72.27 -33.37 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.88 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.44 36.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 5.7 m -62.27 -40.24 95.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.17 -37.58 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.28 -39.0 89.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.0 t -75.8 -53.13 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.92 -41.19 95.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.02 -39.99 50.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.79 -40.06 72.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.34 -32.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.92 -53.48 31.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.4 -40.81 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.12 -39.65 90.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.536 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.71 -31.6 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.22 -24.55 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.24 -24.01 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.3 mt -109.35 28.51 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . 0.536 ' NE2' HE21 ' B' ' 637' ' ' GLN . 6.7 mm-40 -55.53 -47.37 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 12.0 p -55.4 -26.32 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.98 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -53.28 144.58 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.07 -64.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 98.27 -19.67 53.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.77 26.96 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 23.2 p -119.27 -30.37 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.63 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.8 mt -75.03 142.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 171.57 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -73.62 -41.31 62.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.27 74.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -60.28 -42.23 95.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -55.85 -55.95 26.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.52 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -56.14 -52.47 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -51.96 -56.3 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -48.46 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -60.43 -33.41 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 663' ' ' MET . . . . . 0.4 ' HA ' ' HB3' ' B' ' 666' ' ' LEU . 74.7 mmm -61.08 -32.58 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.13 -56.36 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -75.49 -28.01 59.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' B' ' 663' ' ' MET . 0.2 OUTLIER -67.08 -48.8 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.49 -30.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.3 -40.52 74.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.22 -52.14 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -59.61 -32.5 70.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.43 -25.78 66.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.933 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.46 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.6 tmm? . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.93 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.864 0.364 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.0 -51.74 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.54 -43.81 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.96 63.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -76.73 -40.98 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -37.32 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.27 -48.53 37.81 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.11 -26.24 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -58.63 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -53.2 -28.66 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -73.77 -33.91 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -46.79 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.01 -46.02 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.62 -41.69 65.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -37.55 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.89 -27.75 65.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.37 -54.11 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.37 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.02 96.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -63.13 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -31.05 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.72 -54.77 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.78 -33.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.51 77.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.17 41.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.09 -36.99 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.57 -29.27 61.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -74.61 -44.34 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.8 t -69.8 -41.26 79.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -66.68 -47.91 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -63.7 -33.14 74.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.8 mt -76.2 -27.68 56.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.27 -30.12 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -49.0 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.7 m -61.07 -32.84 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.86 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.42 -52.63 25.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -57.13 -35.87 70.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.36 -25.6 33.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.33 -71.56 1.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -46.58 65.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -51.78 -29.47 26.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -50.64 -32.03 17.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.369 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.85 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.69 -24.07 31.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 90.1 m -55.26 -32.89 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.128 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.27 -43.38 77.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -69.91 -48.9 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 30.9 t -56.37 -51.7 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 4.1 tt -54.51 -36.07 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.27 -42.11 81.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.25 65.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.315 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -55.99 -39.17 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.34 -33.26 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.24 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.41 -31.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.07 -52.83 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -65.96 -29.72 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.7 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.55 -24.17 34.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -106.97 28.31 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -61.27 -46.06 91.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.9 p -55.46 -26.35 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -80.5 -26.45 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -53.29 147.83 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -95.18 -72.03 0.64 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.9 -19.66 43.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.02 26.21 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.2 p -118.92 -29.76 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.54 -88.22 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.1 mt -84.34 143.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.51 174.1 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.05 -38.84 92.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -73.75 -42.57 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.23 -42.38 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -62.0 -40.92 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -55.98 26.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.07 71.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -56.11 -48.71 75.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -51.96 -59.28 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.3 -54.27 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -56.88 -27.39 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -74.54 -54.59 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 75.5 mmm -57.85 -35.54 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -58.56 -56.01 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.72 -27.71 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -47.88 79.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 22.7 m -73.99 -30.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -67.08 -31.06 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.74 67.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.06 -40.05 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -21.23 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.56 62.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -77.38 -35.42 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.01 -32.34 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.81 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -65.22 -38.11 89.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.38 -47.04 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.93 -50.11 54.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -32.36 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.06 -58.78 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -53.79 -31.45 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -75.37 -36.22 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -46.16 76.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mp -73.24 -52.6 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.51 -45.17 67.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.16 -35.71 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -46.34 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.837 -179.872 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.8 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.753 0.311 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.89 -54.15 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -32.15 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.77 -33.79 52.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -71.74 -34.67 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.89 65.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -64.99 -38.81 92.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.72 -54.77 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.3 -33.3 47.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.69 90.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.42 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.54 46.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.75 -30.95 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -46.95 35.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.18 -39.6 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -47.56 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.74 -34.18 77.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.8 mt -76.25 -27.1 56.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 mt -72.66 -30.15 64.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.34 -52.34 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.1 m -58.76 -33.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.1 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.68 -34.13 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.19 -36.63 77.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -80.99 -40.58 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.3 mt -72.78 -30.47 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.95 -72.46 1.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -52.08 -36.39 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.895 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.838 0.351 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.1 -42.29 61.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.424 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -64.24 -37.39 87.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.32 -33.09 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -70.12 -27.74 72.53 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -55.69 -36.74 67.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.14 -36.38 79.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -46.9 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -30.49 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -38.09 84.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.14 -47.12 75.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.31 -38.37 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -44.01 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.26 -37.22 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.4 -49.73 75.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.78 -51.38 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.59 -37.17 62.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.561 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.79 -31.9 63.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.47 -24.66 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.16 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.7 mt -108.1 31.66 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . 0.561 ' NE2' HE21 ' B' ' 637' ' ' GLN . 7.9 mm-40 -59.01 -48.79 80.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.2 m -55.67 -25.98 42.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.61 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -52.15 147.04 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -94.33 -71.19 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.91 -19.87 40.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.413 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.11 25.95 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 14.0 p -119.79 -30.96 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.84 -98.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.572 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.1 mt -74.07 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.56 172.13 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -64.62 -38.87 92.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.76 -41.22 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.96 -43.8 74.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -61.52 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . 0.418 ' NE2' HE22 ' B' ' 637' ' ' GLN . 3.8 mm-40 -53.06 -55.89 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.96 -41.85 81.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -56.23 -44.12 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -64.36 -56.4 14.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -51.07 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -59.71 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -59.55 -54.48 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.26 -55.85 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.13 -28.48 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -36.84 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 40.6 t -73.49 -51.38 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.88 -30.73 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.62 51.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.69 -54.51 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -55.95 -25.48 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.72 63.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 -179.977 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.793 0.33 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -73.93 -41.51 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.87 64.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -76.7 -27.13 55.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.73 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.84 -27.17 73.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -27.63 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -58.71 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -57.89 -25.69 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -72.35 -41.26 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -59.76 -49.12 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mp -73.08 -46.52 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -45.72 68.13 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.96 -34.29 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.931 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.72 0.295 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -56.17 -54.04 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.38 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.13 -36.67 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -65.16 -35.48 81.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.47 -30.93 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -65.91 -36.9 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -67.65 -54.91 15.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.78 -33.76 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.88 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -36.63 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.79 -34.48 53.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.06 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -73.56 -48.59 31.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.63 -36.61 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -46.46 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.7 m -64.92 -52.03 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.7 mt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.04 -40.69 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -79.67 -34.69 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.36 -43.48 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.77 -43.79 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -65.43 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -73.18 -34.71 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.78 -25.52 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.71 -45.1 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.922 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.903 0.383 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.91 -50.68 49.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -56.32 -49.24 74.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.86 53.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -61.61 -29.37 70.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.067 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.8 -42.47 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -68.76 -35.29 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 47.5 t -76.1 -53.15 8.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.55 -44.27 91.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.55 55.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.411 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.64 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.42 -37.82 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 65.9 mt -73.34 -33.12 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.18 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.6 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.36 -31.34 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -52.74 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -29.67 70.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.59 61.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.77 -27.81 33.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -99.56 25.78 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -53.35 -52.83 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -26.38 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.92 -24.25 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -55.6 135.69 50.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -109.66 111.92 23.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -83.08 4.6 80.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 18.96 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.75 -31.16 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.69 -119.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.69 143.03 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.77 169.84 9.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -62.66 -40.14 96.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.8 -42.89 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.68 91.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -64.58 -51.11 64.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -51.91 -30.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -91.44 -25.22 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -76.23 -52.12 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -55.51 -53.11 60.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -57.8 -57.41 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -52.13 -47.49 65.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.87 -54.36 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.46 -38.8 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.3 -56.02 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.39 -28.38 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -37.34 87.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.92 -48.29 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -51.83 -30.78 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.81 62.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -81.22 -58.25 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -55.27 -35.92 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.49 -48.35 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.967 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -58.66 -44.27 90.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.77 -42.12 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -26.1 60.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.01 -50.44 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.34 -28.74 73.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.15 -26.3 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -58.74 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.832 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -57.35 -25.22 59.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.98 -25.78 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -73.02 -46.47 51.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.03 -47.5 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.65 -47.18 64.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -72.94 -39.85 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.82 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.942 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.94 -54.07 51.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.4 60.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -66.09 -36.28 82.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -30.95 65.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -63.48 -41.87 98.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.69 -54.7 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.49 -32.69 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.12 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.31 -35.21 41.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.07 -31.55 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.02 -29.54 70.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -74.55 -52.5 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.6 -31.62 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.48 -53.47 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -55.28 -49.32 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.92 -40.23 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.37 -37.02 76.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.72 -32.61 62.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.4 t -74.95 -33.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.76 90.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -68.9 -34.47 75.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.4 -35.29 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.95 -36.6 56.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -30.97 41.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.49 -64.17 3.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -44.81 66.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.952 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.805 0.336 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.0 -33.73 44.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.79 -48.73 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -54.97 -34.88 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.03 -24.44 35.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -35.07 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.09 -37.02 80.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -69.72 -39.22 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -53.16 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.49 -52.62 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.4 87.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.14 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.85 -31.78 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 80.6 mt -73.14 -35.0 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.98 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.41 -32.37 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.26 -50.99 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.69 -29.82 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.19 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.6 -25.26 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.94 26.46 8.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -54.84 -44.03 73.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -62.31 -26.75 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.68 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -52.41 148.76 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -92.56 -64.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.73 -28.99 13.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -99.61 25.78 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 57.8 p -126.92 24.59 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.34 -107.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.78 143.83 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.11 175.5 5.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -66.54 -38.21 86.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.47 -41.3 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.65 69.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -60.96 -43.9 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.45 -55.91 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.41 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.19 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.93 -51.67 55.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.88 -53.36 41.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -53.44 -46.86 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.88 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.84 -57.8 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -52.27 -35.7 50.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -64.97 -48.98 72.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.01 -51.27 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.04 -27.45 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -85.61 -58.26 2.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.89 -27.4 51.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.9 -50.47 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 5.5 tmm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -56.35 -48.8 76.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.88 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -77.14 -35.97 55.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.49 -50.67 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.58 -25.52 70.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.565 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.67 -30.07 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.5 tpp -53.45 -58.97 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -57.93 -24.79 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 m -51.91 -41.89 62.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mp -73.04 -48.37 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.56 -45.74 66.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.526 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -36.73 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.22 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.962 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.1 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.82 0.343 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -54.2 -54.11 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.04 37.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.51 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -74.05 -39.14 63.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.89 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -66.05 -37.06 84.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -67.44 -54.83 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.98 -33.67 42.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.38 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -33.16 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.56 -31.49 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.18 92.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -52.59 64.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.89 -36.43 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -44.64 90.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 m -65.98 -50.25 64.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.3 mt -51.58 -34.35 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -54.9 38.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.0 -40.15 80.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.4 -32.89 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.84 -50.29 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.95 -52.5 28.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.51 -33.92 76.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.1 mt -79.66 -25.96 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.51 1.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -52.05 -44.97 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.933 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.84 0.352 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -39.68 56.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -57.07 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -55.93 -40.62 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.0 -26.89 28.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.6 m -68.6 -42.0 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 0.0 111.113 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.35 -45.02 85.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -55.07 -44.35 74.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.1 t -65.24 -52.81 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.49 -41.48 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.93 49.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.83 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.81 -42.97 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.17 -32.72 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.96 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.054 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 75.6 t -56.62 -51.49 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -53.63 -36.98 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.496 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.68 -31.62 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.72 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.79 -24.57 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 11.9 mt -106.33 25.73 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . 0.496 ' NE2' HE21 ' B' ' 637' ' ' GLN . 13.6 mm-40 -52.04 -48.18 64.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.7 p -55.62 -26.27 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.67 -31.68 32.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -52.05 149.18 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -93.7 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.31 -24.25 26.12 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.95 26.14 4.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 35.5 p -115.82 -27.53 7.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.11 -73.1 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 62.2 mt -95.57 127.28 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.52 160.6 22.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -51.98 -41.79 62.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.95 -42.67 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.55 94.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -64.78 -51.99 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -29.97 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.75 -47.84 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -59.0 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -52.01 -43.92 63.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.99 -51.45 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.02 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.47 46.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -51.4 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -32.98 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.94 -42.41 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.77 -54.91 39.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 25.3 m -60.43 -37.48 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -70.38 -33.75 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.36 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -53.59 -48.15 69.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.29 -30.37 38.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 39.3 ttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.912 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.777 0.323 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.96 -50.69 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.92 64.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.06 76.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -38.48 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.72 76.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.33 -31.47 68.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.11 -25.7 58.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.3 ttm -59.7 -58.93 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -52.07 -39.08 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.06 -41.75 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.0 m -70.85 -41.83 70.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.5 mm -53.0 -45.09 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.48 -36.19 54.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -34.04 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.8 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.92 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.04 -54.01 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.48 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.87 -39.13 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -63.14 -35.62 80.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.92 65.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.7 -41.64 98.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.07 -54.81 32.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.95 -32.93 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -41.47 27.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.77 -31.5 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.61 -35.66 77.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -69.26 -53.44 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -57.5 -45.64 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -41.16 93.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.4 m -67.44 -26.98 66.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.5 mt -69.59 -44.84 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.31 -40.4 71.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.2 t -76.05 -47.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.94 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.01 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.402 ' ND2' ' HG1' ' B' ' 648' ' ' THR . 2.3 m-80 -81.16 -38.78 26.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -78.13 -26.35 47.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.13 -72.53 2.28 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.91 -40.19 60.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.966 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.02 -34.56 46.72 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -53.04 -53.56 48.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.47 43.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -60.35 -24.23 61.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 41.2 m -75.67 -41.01 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.86 0.362 . . . . 0.0 111.174 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.79 -53.99 32.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -32.4 65.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 8.6 t -72.61 -36.5 68.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -51.3 15.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.97 -44.18 61.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -62.88 -40.79 98.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.91 -40.05 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.24 -46.75 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.63 -33.8 64.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 69.1 t -77.34 -31.22 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.13 -52.79 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.72 -29.75 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.7 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.32 29.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.4 mt -99.55 26.8 5.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -60.89 -45.48 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -26.59 66.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.81 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -52.6 149.42 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -94.19 -64.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.48 -19.19 42.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.57 25.83 11.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 648' ' ' THR . . . . . 0.402 ' HG1' ' ND2' ' A' ' 75' ' ' ASN . 21.7 p -126.91 24.54 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.47 -115.79 2.6 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.18 144.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.357 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.84 171.81 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -74.07 -42.73 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.91 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -65.43 -47.27 76.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.45 -51.45 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.6 -41.03 72.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -56.17 -52.95 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -52.13 -56.52 14.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.65 -40.12 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -64.58 -38.85 92.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.4 -54.71 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -47.48 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.96 -34.0 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -73.07 -32.71 65.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.96 -54.15 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 14.7 m -51.94 -44.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -70.7 -30.89 67.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.13 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -82.52 -56.36 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -61.56 -31.41 71.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -66.9 -49.73 64.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 8.4 tmm? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.96 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.74 -51.18 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.46 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.55 90.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -33.58 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.7 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.71 93.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -26.04 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -58.7 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.44 -25.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.56 -48.89 63.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -54.58 -54.2 44.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.51 -48.44 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.09 -47.03 68.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -73.15 -48.85 31.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.1 -27.75 54.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.87 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -63.96 -54.01 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.18 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.11 -35.93 48.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.67 -33.52 75.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.63 68.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -66.2 -37.96 86.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.92 -54.84 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.55 -32.43 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.69 77.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.35 -38.49 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.12 59.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.05 -30.56 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -52.53 41.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.1 t -64.32 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -48.82 75.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.3 m -58.12 -51.79 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.34 -35.65 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.17 -40.9 78.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.15 -32.62 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.96 -36.14 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.01 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -69.79 -36.6 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 -32.96 73.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.03 -39.32 34.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.39 -31.25 67.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.21 -62.22 3.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -52.13 -39.29 59.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.92 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.856 0.36 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.01 93.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -53.29 -50.39 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -68.18 -33.99 75.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.12 -25.09 45.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 93.7 m -69.75 -30.0 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.46 -39.97 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.53 -37.18 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 12.4 t -76.2 -53.19 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.12 -52.29 59.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.89 -46.75 54.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -58.18 -36.89 73.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.072 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.49 -36.05 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.53 -45.23 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.31 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 80.1 t -77.43 -31.2 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.16 -52.83 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -61.54 -29.7 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.73 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.61 -25.17 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.0 mt -100.7 27.57 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.69 -39.7 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.5 m -66.24 -26.62 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.22 57.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -52.61 145.74 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -91.38 -64.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 90.93 19.68 42.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.17 26.18 3.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 58.1 p -119.4 -30.93 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.85 -71.44 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.405 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.2 mt -99.8 144.12 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.04 172.9 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.57 -38.39 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -73.47 -41.16 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.63 -48.53 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -54.42 -47.13 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -54.83 -26.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.78 -44.72 9.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -57.95 -51.51 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -52.01 -59.11 4.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -57.32 -51.96 67.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.9 -31.29 39.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.41 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 1.4 mmt -53.71 -30.26 42.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.33 -56.28 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -76.17 -32.89 59.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -34.24 77.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 5.9 t -70.3 -52.59 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -68.12 -30.33 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -35.23 66.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -85.55 -53.14 5.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -52.07 -44.99 64.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -63.48 -46.89 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.0 tmm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -52.86 -51.75 59.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.07 86.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -35.67 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -36.68 57.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.24 81.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.41 60.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -26.13 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.5 tpp -63.15 -58.45 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -55.66 -26.08 42.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -70.07 -32.25 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -70.06 -41.74 73.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.02 -46.52 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -46.09 84.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -72.91 -41.84 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.85 69.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 -179.885 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.3 t80 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.73 -53.98 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -35.66 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.04 -33.26 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -70.95 -33.41 70.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.18 -31.13 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.98 -43.67 98.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.22 -54.53 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -61.36 -32.42 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.66 -33.04 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -39.19 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.66 -31.27 24.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.96 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -52.62 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.9 t -54.28 -36.76 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.69 -44.66 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.0 m -60.09 -38.33 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.4 -28.4 56.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt -63.49 -37.55 87.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.88 -37.28 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.8 t -70.31 -34.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.56 -50.08 70.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -71.63 -34.03 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.27 74.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.3 -40.41 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.66 -32.89 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.76 -64.04 3.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -52.02 -35.21 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.898 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.77 -43.5 94.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.1 -45.99 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.65 -54.65 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.58 -25.03 33.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 78.2 m -62.1 -33.61 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.23 -48.56 75.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -61.74 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -48.23 82.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.78 -51.57 54.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.21 -31.67 34.65 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.62 69.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.78 -37.98 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 51.0 mt -73.53 -33.86 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -65.12 -53.65 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.6 -40.39 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.24 -37.06 85.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.512 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.78 -31.89 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.92 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.2 -24.66 59.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.17 -24.63 34.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 15.4 mt -106.67 39.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . 0.512 ' NE2' HE21 ' B' ' 637' ' ' GLN . 24.7 mm-40 -66.75 -44.95 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.8 m -55.43 -26.27 40.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.34 -33.37 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -52.92 139.12 28.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -87.66 -58.85 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.19 -22.03 36.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -98.74 26.51 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 15.2 p -112.68 -30.31 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 168.08 -80.28 0.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.2 mt -85.4 143.72 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.7 174.32 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.43 -38.75 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.69 -44.58 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -59.77 -48.43 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.27 -55.24 36.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -57.17 -54.02 51.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.11 -52.75 63.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -51.86 -56.23 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -50.98 -57.6 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.36 -26.87 61.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -71.28 -54.51 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 60.7 mmm -58.88 -44.2 91.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -68.03 -32.14 72.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -66.25 -53.91 31.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -34.24 76.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.31 -47.22 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -70.37 -31.55 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.69 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -78.45 -55.18 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -51.99 -30.09 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.12 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 40.6 mtp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.983 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.21 -48.59 72.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.76 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.63 -31.76 69.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -49.67 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.09 -42.23 69.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -25.66 72.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.85 55.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.1 tpp -64.39 -57.53 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -55.72 -25.86 42.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -50.21 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.99 -48.31 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -47.13 65.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -72.96 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -27.87 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.903 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.34 -54.09 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.41 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -64.4 -36.36 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.61 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.61 -35.5 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -69.03 -54.83 13.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.73 -32.38 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.03 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.85 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.41 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.13 79.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -61.85 -40.88 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 t -71.42 -46.01 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -50.86 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -54.88 -51.94 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.5 mt -51.92 -43.39 63.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.99 -34.13 71.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -32.15 61.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.49 -51.13 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.62 -50.77 59.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -57.99 -33.45 68.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.48 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -71.58 -14.99 62.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -24.89 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.16 -88.22 0.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.571 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -52.08 -31.15 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.931 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.824 0.345 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.57 -50.14 54.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -57.18 13.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.947 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.92 -43.27 66.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.2 -26.71 29.47 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 60.9 m -59.57 -48.49 81.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.74 -43.32 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -47.49 66.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.1 m -76.02 -30.97 58.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -51.43 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.16 94.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.26 -42.18 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.93 -38.97 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 65.2 mt -73.27 -45.02 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.11 75.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.78 -31.27 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.97 -52.73 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -68.38 -30.88 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -55.23 -27.53 46.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.29 41.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.05 23.5 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -55.08 -40.01 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.7 m -70.25 -19.09 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.85 -13.33 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -51.49 151.02 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -105.72 -33.98 7.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.02 27.94 23.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.19 16.93 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 19.5 p -121.04 -31.28 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 164.37 -84.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.52 139.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 111.024 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 160.71 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -51.21 -45.01 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -75.19 -41.95 56.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.03 -50.19 73.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -54.2 -40.79 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -59.69 -55.96 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.36 -22.56 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.1 -52.68 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -55.68 -52.2 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.59 -58.52 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -51.67 -45.34 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.56 -54.43 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 36.3 tpp -51.57 -37.33 49.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.63 -56.04 27.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.91 -28.2 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -38.33 88.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 85.8 t -65.87 -51.32 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -65.55 -39.1 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.18 -25.24 46.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -85.06 -54.96 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.94 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.8 ttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.992 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.811 0.339 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -64.05 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.95 83.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.97 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -39.55 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.12 -46.04 72.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.87 72.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.37 -31.23 62.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -58.72 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.61 -29.22 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -67.21 -39.79 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.17 -48.33 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -67.18 -46.1 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.04 -45.63 93.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -73.1 -49.54 27.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.27 -27.74 66.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.71 -54.08 18.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.88 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.86 88.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -68.64 -40.31 80.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -66.37 -35.06 79.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -69.39 -54.86 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.96 -32.23 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.36 86.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.83 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.52 -31.54 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.33 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -53.09 45.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 t -56.88 -43.67 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -45.72 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.0 m -62.77 -52.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.08 -34.06 76.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.32 -40.13 95.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.41 -41.74 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -54.23 -44.53 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.12 -52.38 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.68 -41.67 91.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -27.07 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.64 -48.54 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.3 mp -71.09 -32.66 69.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.37 -58.25 4.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -35.03 42.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.926 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.805 0.336 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -59.26 -40.73 96.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -62.01 -38.14 87.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.13 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.44 -34.78 42.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 28.4 m -55.97 -44.69 78.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 111.15 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.29 -47.06 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -53.55 -36.86 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 49.0 m -76.21 -52.96 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.21 -48.63 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.51 -45.96 53.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.46 -33.58 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.77 -42.13 75.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.35 -33.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.05 76.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.3 p -77.69 -30.95 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -52.85 62.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -59.66 -29.42 68.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.51 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.63 -20.63 39.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 18.9 mt -106.03 28.66 7.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -56.89 -25.6 57.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.34 20.22 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -119.71 -31.38 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -51.95 143.94 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -93.89 -55.78 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.67 -19.96 47.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.26 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.4 p -117.71 -29.92 5.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 165.88 -96.35 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.66 142.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.75 164.71 14.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -59.63 -41.18 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.37 -42.88 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.29 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -66.36 -51.35 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.31 -29.72 24.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.83 -23.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -76.31 -52.87 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -55.97 -46.63 78.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -60.99 -57.97 10.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -54.28 -38.86 66.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -67.47 -54.51 19.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -39.82 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.84 -55.83 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -70.2 -28.57 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -39.08 93.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.59 -51.26 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -57.73 -32.14 67.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.35 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -73.81 -32.31 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -69.27 -22.42 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 51.6 ttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.984 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.727 0.298 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -77.81 -46.88 20.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.43 -38.92 56.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.11 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -47.03 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.03 -47.18 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.79 -26.91 26.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -30.01 30.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -58.92 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -23.86 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -72.86 -49.49 29.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.9 m -55.41 -51.79 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -65.38 -47.42 87.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.91 -46.1 91.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -73.0 -53.11 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.94 -27.72 53.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.884 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -70.79 -54.03 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -39.75 57.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -66.46 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.54 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -67.43 -35.57 79.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -69.45 -54.89 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.53 -35.01 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.94 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.16 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.21 -31.62 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.07 86.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tmtp? -54.47 -52.59 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.0 t -63.14 -52.69 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -31.89 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.3 m -84.71 -27.68 26.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.4 mt -73.73 -36.9 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -55.36 -55.08 35.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.99 -43.32 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.84 -32.97 60.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.28 -50.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -71.93 -39.5 69.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.65 63.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.66 -39.63 94.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.3 mt -70.88 -25.93 63.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.37 -74.57 1.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -45.18 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.794 0.33 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.56 -49.75 59.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.5 -47.52 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.383 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.48 -33.23 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.025 179.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.21 73.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 98.4 m -66.78 -29.08 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.91 -56.91 15.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.12 -41.56 81.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 36.0 m -59.47 -46.39 88.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.29 -43.7 55.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -45.14 55.9 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -54.39 -37.93 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.011 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -55.77 -35.84 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 87.7 mt -73.45 -36.19 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -64.33 -53.29 51.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.21 -40.4 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.19 -36.81 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 637' ' ' GLN . . . . . 0.624 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.63 -31.08 63.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.49 61.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.53 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 34.01 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 641' ' ' GLN . . . . . 0.624 ' NE2' HE21 ' B' ' 637' ' ' GLN . 8.1 mm-40 -65.25 -45.34 84.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.3 p -55.7 -25.99 42.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.21 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -52.34 149.93 5.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -98.91 -63.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.24 -19.47 54.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -86.66 -26.27 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.6 p -67.98 -30.59 69.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.02 -114.89 0.55 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 54.9 mt -53.77 142.86 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.4 167.48 11.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -61.45 -41.12 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.58 -42.82 58.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.79 96.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.5 t90 -62.69 -41.43 99.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.88 -55.84 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.14 -39.6 75.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -56.05 -52.84 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -60.9 -47.82 84.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -57.72 -51.17 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.53 25.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -42.24 78.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.15 -56.05 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -29.82 66.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -42.1 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.37 -51.21 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.89 -35.07 77.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.13 -25.18 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -85.52 -57.8 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -58.83 -23.68 60.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.18 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.759 0.314 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -85.19 127.55 34.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.14 102.48 14.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 mt -97.77 108.09 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 63.31 84.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -130.69 -56.72 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -132.94 28.87 4.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 pt -98.43 152.47 37.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.34 0.112 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 179.63 122.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 56.2 25.76 9.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.9 m -90.15 -29.6 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.17 -44.05 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.049 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 m -54.76 -33.67 61.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -73.11 -25.53 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.19 92.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.84 -27.75 57.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -52.01 -51.75 55.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.78 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.86 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -45.74 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -45.47 72.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.08 -26.68 73.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.445 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -25.43 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.943 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 42.5 tpp -65.75 -57.55 7.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -27.0 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.74 -38.51 91.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -65.06 -41.92 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.13 -48.56 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -46.76 66.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.7 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.72 -35.1 68.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -61.09 -38.28 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.42 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.66 -26.42 56.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.8 mtt -72.28 -52.74 14.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.5 p -52.17 -39.61 60.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.17 -26.88 60.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -69.21 -5.4 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' O ' ' C ' ' A' ' 42' ' ' PHE . . . -63.91 -9.51 15.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.542 ' C ' ' O ' ' A' ' 41' ' ' ALA . 38.0 m-85 -25.38 -71.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -116.93 -27.96 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 63.23 96.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.11 -101.18 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -168.42 -46.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -58.45 128.33 36.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -178.61 85.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.13 -49.89 9.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.8 -40.17 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -75.98 -34.33 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.75 -54.06 49.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -47.98 63.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.54 87.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -68.86 -38.86 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.88 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.6 -39.29 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.13 -54.82 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.89 -33.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.21 -34.79 42.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.84 -34.61 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.53 -31.42 66.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -74.6 -40.53 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.9 t -71.46 -44.08 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -49.5 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -60.29 -33.34 72.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.7 mt -76.22 -26.6 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.97 -30.16 63.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -77.03 -47.76 19.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 32.1 m -62.54 -34.46 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -71.72 -34.06 69.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.0 -35.56 72.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -81.15 -39.21 25.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.4 mt -75.88 -29.6 58.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.95 -75.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -51.96 -30.72 25.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.14 -53.76 51.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -176.05 162.2 2.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -129.17 87.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 t -147.42 171.02 16.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 111.137 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -152.17 165.3 35.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.3 t -143.86 78.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.158 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.05 68.62 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.74 -32.91 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.92 167.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -175.26 174.52 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.71 -28.51 26.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.23 -26.67 67.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.01 -26.18 68.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.66 -55.25 3.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.76 -179.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -165.05 153.96 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.2 p -137.71 135.52 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.47 -140.07 8.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 2.2 mtp -139.58 73.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 33.8 p -116.03 -24.79 7.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.8 10.82 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 28.7 mm -78.58 -69.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -161.74 49.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -122.74 70.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -60.52 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -130.34 160.55 65.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.728 0.775 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 78.73 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -80.66 -62.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -42.39 10.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.63 135.82 50.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 111.77 -149.15 18.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.59 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.39 172.29 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -173.3 51.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 138.97 -138.84 9.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -136.92 72.84 1.43 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -38.49 26.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.51 -31.02 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.85 67.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -67.01 -54.79 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.57 -24.42 39.2 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 96.9 m -60.13 -34.6 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.25 -45.23 85.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -52.76 59.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 4.9 t -63.12 -34.12 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -47.35 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.43 91.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.29 -32.05 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.55 -40.43 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 68.3 mt -73.36 -32.6 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.78 -39.62 80.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 13.3 p -77.46 -31.05 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.44 -52.9 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -60.21 -29.66 68.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.23 -24.68 67.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.62 37.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -109.0 29.48 7.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.53 -45.75 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 25.0 p -55.37 -26.45 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.95 -27.28 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -54.77 146.33 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -93.46 -69.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.29 -19.98 46.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.68 26.27 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.2 p -118.8 -29.43 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.29 -91.98 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.1 mt -81.4 143.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.39 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.46 172.98 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -64.38 -39.26 93.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -73.94 -42.6 60.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.57 -41.79 83.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -59.39 -56.03 27.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.71 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -56.14 -50.01 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -51.97 -59.28 4.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -52.95 -47.45 68.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -62.23 -27.41 68.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.98 -54.44 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 80.7 mmm -57.14 -39.54 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.07 -56.09 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -70.71 -28.37 64.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.47 -51.24 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -52.36 -33.22 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.14 -28.55 58.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -85.7 -36.38 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -72.28 -19.07 61.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -48.22 67.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.044 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.27 -32.36 73.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.1 p -82.8 0.6 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 32.0 t -56.58 -24.98 51.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -11.88 60.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.164 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -51.3 -47.24 62.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -82.06 -17.01 48.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -58.54 -19.95 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -57.22 -67.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 3.5 m -56.87 -23.38 44.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 6.8 ttm -50.2 -32.05 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.15 -31.54 31.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.9 ttt -72.73 148.39 44.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 6.7 ttp -94.18 -25.87 16.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.8 -45.64 63.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -74.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.02 89.03 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 28.4 p -114.93 -49.6 2.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -22.85 20.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.44 -60.85 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.78 -24.7 67.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.89 -26.49 27.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 164.21 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.08 26.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.988 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -98.41 -155.49 29.39 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -167.04 143.7 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.68 113.25 18.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.12 165.08 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 58.64 37.98 25.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -114.13 -44.64 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -150.98 47.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -96.74 152.47 38.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.72 81.82 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.419 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -108.12 -43.14 4.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -101.55 18.97 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.73 -26.83 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.7 68.9 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.08 -33.04 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -66.15 -34.76 78.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -113.02 89.0 2.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.03 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.6 -48.82 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.78 67.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -40.12 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.28 -50.5 73.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.96 -25.73 75.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -32.96 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.3 tpp -55.58 -58.69 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -30.29 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -75.64 -29.12 59.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 m -74.09 -33.03 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -61.0 -55.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.85 -39.07 96.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -58.53 -36.84 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 -45.84 58.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.11 -40.27 67.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -52.22 -34.95 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.93 91.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.26 -38.41 68.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.8 mtt -64.67 -30.99 72.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.2 t -67.54 -57.69 6.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.13 -25.81 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -85.16 -7.01 59.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.81 -23.08 67.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -51.76 136.34 27.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 51.96 55.35 9.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -63.73 116.1 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.11 -32.4 0.22 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -106.81 -175.47 2.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.839 0.352 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 p -141.83 155.34 45.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -112.47 127.52 56.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.12 -47.76 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.24 35.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.59 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.15 -54.06 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -45.72 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.73 -38.65 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -63.68 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.25 -31.01 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -63.6 -41.74 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.81 -54.7 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.45 -32.72 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -35.65 81.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.8 40.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.16 48.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.5 -30.77 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -48.23 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 t -64.67 -33.64 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -46.33 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -65.75 -31.71 72.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.2 mt -74.11 -26.41 60.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.1 mt -70.74 -30.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.6 -53.05 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.2 -32.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.21 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -71.7 -33.92 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.65 -34.76 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -81.09 -39.0 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.4 mt -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.87 -69.18 2.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.94 -37.12 51.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.24 -54.65 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -178.19 148.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -102.78 93.29 1.03 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.7 m -149.97 132.89 16.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.368 . . . . 0.0 111.072 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -137.4 169.0 18.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 p -64.58 91.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.132 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.1 25.21 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.01 -24.91 15.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 63.11 171.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.79 178.8 5.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.16 -26.35 39.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.03 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.82 -34.16 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -145.65 92.22 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.52 176.32 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -115.78 -29.2 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.021 0.439 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.8 m 54.14 82.85 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.208 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.69 73.16 0.17 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.839 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 2.8 mtp -112.89 73.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 5.5 p -116.06 -24.8 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.78 10.83 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 28.6 mm -78.57 -69.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 21.0 ptp -161.77 49.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.79 95.49 4.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.05 -61.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.05 160.55 51.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -40.04 5.78 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.775 2.316 . . . . 0.0 112.287 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -53.85 -31.17 48.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 3.1 mmt -78.19 -44.53 25.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 51.2 tp -65.46 -73.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -159.42 179.28 35.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.545 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -135.79 166.12 24.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -105.39 -75.59 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 85.81 31.19 21.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.22 -72.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.827 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.31 -26.08 68.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.56 -30.99 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.03 -32.11 41.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -55.89 -56.32 22.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -53.69 -35.74 61.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.88 -25.81 31.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.3 m -64.67 -40.83 96.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.19 -38.14 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.59 -46.6 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.0 m -76.14 -41.91 48.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -52.83 60.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.67 -35.27 85.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.449 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.91 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.94 -39.06 84.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 5.9 mt -73.72 -35.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.48 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.34 -33.89 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -64.79 -37.38 87.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.438 HE21 ' N ' ' B' ' 638' ' ' ALA . 0.0 OUTLIER -66.6 -42.21 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . 0.438 ' N ' HE21 ' B' ' 637' ' ' GLN . . . -63.75 -29.41 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -76.07 -24.6 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.0 mt -114.28 38.96 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -63.46 -52.85 59.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.0 p -55.6 -26.08 41.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -52.52 143.9 14.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -90.22 -68.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.51 -26.17 24.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -96.56 26.16 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 47.0 p -119.58 -30.93 4.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.19 -110.02 0.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.7 143.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 111.191 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.17 171.24 8.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.22 -38.81 92.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -73.63 -42.65 61.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.41 -48.27 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -54.3 -49.11 70.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -51.64 -44.67 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.96 65.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -56.77 -51.73 67.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -58.47 -54.96 41.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -51.62 -52.5 47.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.8 -47.39 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -52.49 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -57.97 -33.27 68.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -70.81 -34.87 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 5.7 mt -71.19 -55.5 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 15.4 m -52.92 -44.57 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -71.08 -32.3 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.98 68.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -85.56 -44.73 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -68.01 -25.64 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.62 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -52.68 -39.57 62.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.3 p -82.69 -32.71 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 29.6 t -64.32 -35.75 81.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 1.4 m -70.22 -14.93 62.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -53.65 -27.82 29.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.41 -21.19 59.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.7 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -51.7 -63.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.5 m -74.09 -30.33 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -31.03 63.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -55.83 -68.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 57.16 90.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -38.34 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.865 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -55.17 -53.12 59.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -66.12 -26.99 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -76.02 71.82 2.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 4.8 t -116.82 -30.54 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.28 -22.66 20.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.39 -60.92 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.86 -24.72 67.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.74 -25.35 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 157.35 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -85.47 109.05 18.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 99.35 -111.49 4.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.59 81.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.24 -175.6 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.02 153.04 42.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 58.91 31.25 21.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.71 -34.03 11.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -73.57 -35.72 65.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -64.48 152.47 89.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 78.72 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.305 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -105.47 -48.81 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.25 24.52 9.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 m -83.45 -25.28 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -162.47 39.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.41 -56.0 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -49.18 76.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 p -172.77 127.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.95 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.056 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -61.04 -50.62 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.11 -38.41 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.78 -39.36 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.77 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.5 -50.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.22 -27.53 73.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -33.3 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ttm -60.99 -58.6 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -52.02 -36.61 50.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.23 -45.36 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -64.17 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.9 mm -67.15 -48.84 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.82 -32.09 81.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -39.78 66.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.29 -40.18 45.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.64 -52.65 64.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -58.69 -33.93 70.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.49 -39.71 70.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.54 -64.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.7 ptp -61.64 -26.92 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -62.49 -62.07 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.77 -39.92 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -55.97 -25.12 42.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.16 -56.89 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 49.6 60.76 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 t60 63.42 47.5 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -140.68 -70.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.95 -87.3 0.18 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -176.86 122.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.59 112.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.2 t -174.42 132.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.99 -57.3 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.64 27.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -62.49 -34.42 76.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -56.68 -54.17 49.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.35 -40.91 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.59 -29.65 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -74.84 -33.39 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -63.23 -43.6 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.34 -54.55 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.13 -32.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.51 75.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -36.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.08 -31.53 42.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.42 70.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -74.53 -52.62 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.67 -31.51 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -70.75 -53.64 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.3 m -56.0 -40.33 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 mt -64.03 -35.55 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.84 -46.26 90.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -65.91 -38.87 89.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.27 -33.02 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -71.51 -34.31 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.2 -33.37 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.17 -38.35 56.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.17 -32.87 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.06 -55.5 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.03 -50.71 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.83 -70.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.06 152.64 39.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.31 84.19 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.5 t -154.32 171.25 19.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.687 0.279 . . . . 0.0 111.208 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -134.71 165.86 24.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.9 t -143.83 78.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.05 68.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.96 -32.18 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.88 174.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -124.82 171.05 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -88.68 -41.43 12.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.25 -27.76 62.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.41 92.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -82.43 98.18 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.62 168.23 24.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -128.04 141.0 51.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.08 159.35 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.76 97.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 119.361 -0.352 . . . . 0.0 110.909 -179.898 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.62 72.12 10.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 42.5 p -116.06 -24.37 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.81 10.86 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.68 -69.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 9.7 ptp -161.89 49.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -122.92 63.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -56.79 -42.56 79.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -130.41 160.48 65.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -18.46 37.39 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -56.27 -33.35 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 3.5 mtt -72.24 -48.53 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.88 106.67 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 101.12 166.16 27.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.21 178.72 7.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.728 0.299 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -156.46 172.6 18.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 163.02 -156.3 27.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -116.25 30.72 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.45 -27.88 37.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -60.56 -31.05 70.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.06 90.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -37.46 83.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.43 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.99 -36.22 66.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.5 m -55.8 -44.85 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.88 -40.02 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -52.61 -51.17 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 31.3 t -76.06 -30.45 58.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -52.65 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.06 -37.64 94.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.38 -36.44 61.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.09 -34.83 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.23 -38.61 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 87.2 t -75.21 -31.58 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.87 -52.07 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -60.67 -29.73 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.26 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.77 -25.41 44.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.35 27.11 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -53.13 -43.21 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.1 p -62.09 -26.52 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.31 -32.56 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.66 135.52 34.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.48 -69.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.99 -20.1 46.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -96.01 26.06 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 12.1 p -119.63 -30.94 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.43 -98.38 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.33 143.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.47 176.28 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -67.14 -38.49 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -73.52 -40.23 64.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.01 65.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -59.69 -42.23 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -58.65 -55.95 28.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.2 -52.52 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -52.01 -52.87 47.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -51.87 -51.84 53.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -54.2 -46.15 72.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -57.02 -54.17 49.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -54.49 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -33.11 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -71.0 -47.67 57.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 4.4 mt -58.46 -42.56 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.12 -44.42 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -70.31 -34.53 72.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.83 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -72.59 -57.63 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.98 -18.25 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.12 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -31.73 61.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -23.91 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 13.5 t -56.88 -24.13 49.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.751 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -17.19 57.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -55.52 -25.9 39.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.93 -30.03 22.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.72 -30.03 20.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -55.21 37.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.8 p -74.1 -27.69 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 11.8 mtm -52.09 -30.02 24.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -55.94 -57.53 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 63.2 mtp -53.23 115.42 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 3.7 mtt -73.87 -31.19 63.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -57.69 -39.21 76.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -30.33 52.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.03 111.07 21.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.3 p -129.56 -73.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -59.5 -24.93 64.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.08 -60.89 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.19 -24.74 67.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.4 -24.77 25.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.11 179.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -93.23 170.79 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -162.0 -85.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.481 -179.882 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.774 0.321 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -177.04 111.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.818 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.19 86.35 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -97.15 -41.99 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -129.64 38.84 3.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.14 -38.21 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -129.25 65.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -120.56 152.42 55.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 76.6 1.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.88 169.43 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.25 18.33 10.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -112.74 -53.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.38 27.0 6.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.007 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -36.42 55.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -45.43 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 p -167.78 103.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.91 -26.76 14.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -64.62 -51.71 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -38.47 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 -44.02 51.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.03 90.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.37 70.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.08 -25.89 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -58.69 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.96 -26.1 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -70.12 -31.48 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -68.41 -42.79 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.2 mp -73.09 -49.52 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.76 65.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -72.93 -34.03 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.37 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -60.58 -46.14 91.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -33.93 40.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.02 91.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.09 -64.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.067 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.2 ptp -58.33 -27.88 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -63.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.61 -25.01 64.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.23 -6.99 59.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.03 -23.1 67.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -51.79 136.33 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 52.05 51.79 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -64.94 126.83 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 145.56 40.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.14 123.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.5 p -76.75 178.41 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.1 130.39 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.23 -41.16 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.96 75.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -59.52 -34.41 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.45 -54.01 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.41 -49.71 61.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.07 87.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.02 65.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -64.15 -40.52 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.04 -54.71 29.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.5 -33.01 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.27 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.57 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.8 -35.66 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.49 -35.65 68.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -74.5 -47.99 29.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.3 t -56.79 -37.21 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -43.83 64.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.2 m -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.27 -26.43 55.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.18 -29.88 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.2 -49.02 14.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 34.6 m -61.53 -32.94 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.1 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -71.35 -33.9 70.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.24 71.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.405 HD21 ' N ' ' A' ' 75' ' ' ASN . 1.5 m-80 -81.14 -37.82 28.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.4 mt -76.6 -29.4 56.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.48 1.23 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -35.2 45.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.93 -27.58 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.08 -64.69 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.73 146.81 4.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m 64.39 108.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -84.55 166.21 17.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 63.7 t -72.78 87.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.49 70.58 8.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.88 -34.11 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.65 162.15 23.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -175.59 -35.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.91 -27.28 69.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.2 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.44 -25.32 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -52.67 169.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.3 162.24 20.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -96.37 136.99 36.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.8 p -138.41 175.44 9.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.238 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 177.62 -36.75 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.956 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.26 72.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 60.5 p -116.13 -24.25 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.01 10.94 22.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 28.8 mm -78.67 -69.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 5.5 ptm -161.84 49.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -122.86 165.52 16.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -114.9 -65.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -128.72 93.65 36.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -18.77 37.23 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.754 2.303 . . . . 0.0 112.373 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.4 -35.99 65.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 1.4 mtt -89.23 -27.9 20.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 5.9 tt -117.7 103.06 9.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 140.51 91.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.56 -40.35 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -132.82 -75.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.36 -54.26 0.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -147.38 26.26 1.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 5.0 mmt -82.29 -25.53 33.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.44 -30.99 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.44 -33.73 47.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -41.05 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.8 -33.15 34.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.05 -24.54 35.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 62.6 m -56.18 -39.18 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 26.4 mt -60.8 -36.53 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -52.53 41.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -53.02 55.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 10.2 tp -60.63 -37.85 82.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.17 57.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.3 -34.13 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.75 -42.28 75.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 72.4 mt -73.32 -32.52 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.45 -53.09 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.2 -31.21 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -44.76 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -39.43 88.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -68.08 -24.56 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.63 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.1 mt -117.78 34.92 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -54.16 -52.75 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -26.01 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -71.02 -29.18 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -62.73 140.11 58.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -91.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 109.91 -19.7 27.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.89 26.09 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 17.6 p -119.8 -31.03 4.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 166.4 -115.12 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.0 mt -54.12 143.15 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 171.45 8.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.09 -39.44 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -73.91 -41.41 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.3 76.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -59.99 -38.36 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.43 -55.97 27.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.15 -42.69 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -56.07 -49.41 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -59.49 -59.4 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -51.75 -49.71 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.22 -34.51 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.69 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 83.9 mmm -56.88 -43.45 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.15 -55.96 17.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.81 -28.34 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -37.48 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 40.5 t -71.72 -51.15 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -52.75 -34.16 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.29 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -85.69 -51.97 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -55.53 -25.99 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.03 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -70.31 -32.07 69.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.71 0.41 43.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 75.6 m -58.34 -22.52 53.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -19.01 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -51.9 -30.29 23.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -53.54 -28.3 30.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.97 20.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -63.68 -54.53 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -24.95 59.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.1 mtm -52.02 -30.03 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.83 -29.97 21.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 7.5 mtt -58.64 128.31 36.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -26.16 61.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.87 -64.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -56.47 -28.84 60.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.07 69.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 12.0 t -100.91 -32.63 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.44 -23.08 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.6 -60.84 2.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.48 -24.65 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -87.22 -25.25 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -58.06 139.52 54.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 60.39 93.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 149.08 175.44 21.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.866 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.42 111.39 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.39 129.44 20.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mp -136.81 34.22 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 55.61 31.22 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.73 -60.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -132.33 51.74 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -94.5 152.54 40.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.218 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 82.82 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -110.68 154.21 24.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.88 51.98 10.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.96 -29.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.03 38.65 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 p -73.01 -35.48 66.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -61.74 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.36 107.89 18.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.22 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -69.37 -51.78 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.66 69.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.37 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.7 -36.68 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.08 -48.35 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.16 -38.29 63.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -26.07 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.0 ttm -66.96 -58.79 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -28.86 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.62 -33.56 76.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -68.89 -40.18 79.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.2 mp -73.16 -50.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.58 -45.92 66.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.43 71.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.86 -52.41 65.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -52.03 -39.09 59.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.46 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.78 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.6 ptp -63.81 -38.43 91.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 t -67.77 -52.01 42.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.92 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -85.14 -7.13 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.39 -29.46 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -51.91 136.33 28.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 m80 51.91 30.28 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -143.37 -74.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.42 47.96 5.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.435 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 58.55 67.56 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.0 p -179.36 100.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.1 143.27 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.09 -46.12 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.84 -50.6 71.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.08 -34.49 68.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.71 -54.01 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -51.75 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.64 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -63.96 -36.3 83.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.78 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -66.78 -34.94 78.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.58 -54.8 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.66 -34.14 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.67 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.84 40.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.79 -31.44 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.06 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.47 -52.67 11.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.65 -31.56 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.98 -53.46 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -55.82 -46.4 78.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.3 mt -58.47 -35.4 72.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.82 -45.84 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.98 -36.54 83.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.9 t -70.11 -33.08 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.06 76.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -34.51 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.48 -40.73 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.81 -32.16 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.62 -65.38 3.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.05 -38.06 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.78 -56.16 20.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.1 -55.71 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.59 85.72 1.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -136.68 160.51 38.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.176 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -165.45 166.07 18.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 37.9 t -143.62 78.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.21 68.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.65 -26.84 10.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -157.79 154.54 28.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.54 159.68 32.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.39 -30.23 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.11 -58.54 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.37 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.06 -171.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -172.94 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -110.7 -28.6 8.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.2 -175.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.79 175.94 48.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.445 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 119.324 -0.369 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 1.4 tpt 60.85 34.47 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 78.1 p -105.3 -10.55 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.97 2.27 56.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 24.1 mm -70.59 -72.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 9.4 ptm -172.42 29.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.19 144.79 16.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.25 -66.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -128.28 160.56 61.43 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.708 0.765 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.71 35.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.617 2.211 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -54.73 -27.57 41.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 37.6 mtt -68.44 -39.23 81.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.65 -65.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -105.64 -153.9 21.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -151.23 172.73 15.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 60.86 -174.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -153.39 -67.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.407 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -117.17 31.79 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 6.4 mtt -79.4 -26.02 41.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.48 -31.02 32.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.46 -34.07 54.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.82 -33.92 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.84 -24.37 41.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 13.1 m -67.39 -52.51 39.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 19.5 mt -56.8 -36.55 70.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -51.99 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -30.49 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -50.95 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.11 94.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.2 -38.22 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.84 -40.28 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 78.9 mt -73.16 -47.14 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.19 -32.87 62.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.34 -31.21 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -52.81 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -56.46 -29.69 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.15 -27.02 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.6 mt -100.0 25.94 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -51.91 -46.0 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 96.5 p -55.42 -26.57 42.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.26 -36.19 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -52.86 147.79 8.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -96.9 -70.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.66 -26.31 21.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -98.41 28.15 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 3.2 p -117.19 -25.26 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.94 -78.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.01 143.25 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.119 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.27 174.4 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.61 -38.27 88.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.48 -41.17 63.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.2 55.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -54.4 -53.86 48.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -53.26 -28.6 28.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -55.17 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.16 -50.85 70.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.99 -51.46 57.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -52.01 -50.18 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -59.34 -41.39 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.88 -54.11 43.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -55.43 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -52.74 -34.63 53.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.41 -41.41 73.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.2 -45.93 89.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 27.0 t -55.05 -51.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -70.33 -32.28 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.23 65.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -68.35 -44.75 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -60.83 -22.75 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.26 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -62.37 -47.44 84.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.78 0.65 42.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 7.3 t -58.28 -23.77 57.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.93 -5.51 46.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -53.01 -53.23 53.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -82.3 -17.52 45.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -53.49 -27.13 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -69.03 -40.68 78.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.2 m -58.43 -23.85 58.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 32.0 mtm -51.58 -33.49 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -53.78 -29.93 42.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.075 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.9 ttt -59.97 157.72 12.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 4.4 ptp -74.25 -27.98 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.94 -37.98 54.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -57.62 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 57.85 62.39 2.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 1.9 t -116.0 -34.0 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -22.41 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.25 -60.83 2.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.1 -24.76 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.2 -25.22 25.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -45.19 71.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -64.81 144.42 57.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 95.29 104.29 1.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 60.04 94.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mt -80.84 112.64 18.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.66 -172.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.22 32.47 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.65 -59.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -116.13 33.82 5.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.9 pt -75.0 152.38 86.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.268 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -179.94 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mp -137.54 26.48 2.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.84 127.12 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.75 60.66 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.51 -31.42 72.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -28.83 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.17 120.23 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.6 -29.66 69.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.79 -51.62 65.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.66 84.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.99 65.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -40.29 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.27 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.05 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.34 -35.48 92.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.38 -37.66 88.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.3 tpp -57.36 -58.86 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -56.4 -25.94 51.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -74.78 -29.2 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -69.31 -45.78 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mp -73.23 -47.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.72 63.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -72.9 -34.13 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.91 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.88 -47.65 79.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -55.16 -33.94 63.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.7 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.81 -46.48 64.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.5 mtt -55.65 -56.85 15.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -52.11 -49.94 62.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.784 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -23.79 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -7.04 58.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.83 57.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -53.31 -31.58 44.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.99 -34.4 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 63.46 -170.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.2 -145.19 24.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.97 166.48 15.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.5 155.01 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.5 t -88.79 171.78 9.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.773 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.11 -36.58 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.21 -26.09 37.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -67.54 -34.36 76.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.0 -54.04 51.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.48 -47.58 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.2 93.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -63.69 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.88 65.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -64.57 -39.35 93.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.09 -54.83 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.9 -32.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.35 -40.74 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.48 -31.44 23.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.41 -30.34 62.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.37 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.81 -35.3 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -66.88 -44.16 81.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -69.89 -35.77 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.0 -26.61 62.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.22 -30.09 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.72 -55.06 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.03 -32.92 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.1 77.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.6 22.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -58.77 -33.97 70.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.17 -29.27 31.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.53 -65.51 2.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.07 -48.77 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.03 -28.41 38.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.27 -179.77 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -128.79 64.8 0.6 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.43 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.2 m -130.33 141.39 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -61.33 165.12 4.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.5 t -143.69 78.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.0 68.63 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.05 -26.47 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 60.73 92.16 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.74 176.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.51 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.55 -25.72 65.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.05 31.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -58.59 133.68 56.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.45 125.27 25.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -56.61 131.71 49.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.937 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m 52.76 69.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.95 58.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.918 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 56.98 72.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 50.9 p -116.19 -24.42 8.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.87 10.91 21.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.59 -69.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -161.69 49.58 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -122.84 126.89 48.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -134.32 -72.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -119.19 160.48 41.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.09 37.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.22 -45.54 75.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -27.5 64.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 5.4 mt -90.3 128.87 36.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 163.14 122.61 0.61 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.452 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.65 136.8 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -83.39 142.27 31.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -156.49 -176.22 28.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.423 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -36.26 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -31.0 46.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.03 33.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.08 -47.81 59.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -55.2 -56.6 18.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.81 -40.93 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.53 -24.89 48.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.414 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.0 m -66.83 -39.08 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.78 -44.39 90.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -42.12 64.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.0 m -75.99 -31.12 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -52.72 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.9 -33.84 56.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.24 76.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.084 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.9 -43.71 77.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 50.5 mt -72.95 -34.0 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.28 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 99.5 t -56.27 -51.38 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -53.39 -37.28 62.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.532 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.81 -32.1 63.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.86 58.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.18 -25.29 36.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.79 28.34 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . 0.532 ' NE2' HE21 ' B' ' 637' ' ' GLN . 7.2 mm-40 -54.65 -38.95 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.4 p -62.63 -26.51 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.66 -31.18 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -52.05 149.26 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -94.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.97 32.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -144.8 26.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 29.8 p -118.63 -29.77 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 174.63 -79.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.4 mt -93.0 144.14 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 111.085 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.49 171.42 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.03 -38.64 91.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.02 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -54.43 -53.66 51.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -52.25 -29.72 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -53.51 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.27 -50.35 71.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -52.05 -50.99 60.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -59.32 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.82 -45.88 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.3 48.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -50.39 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -54.89 -38.59 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -66.1 -45.8 79.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 10.2 mp -59.64 -43.56 93.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 20.3 t -60.76 -51.26 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -65.56 -31.67 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.53 65.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -83.13 -46.75 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -62.0 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.75 -50.2 38.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -60.43 -35.82 76.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 95.2 p -82.11 -26.44 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -29.68 67.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.46 -12.96 61.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -51.42 -44.57 62.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.57 -17.17 49.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -56.92 -22.48 37.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -56.53 -70.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.81 -35.37 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.4 ttp -51.77 -31.06 25.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -53.39 -35.17 60.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 99.47 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.5 ptp -64.49 -32.78 74.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.45 -63.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -30.44 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.27 88.29 6.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.4 t -114.08 -35.58 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -86.51 -27.74 23.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.72 -60.8 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -52.76 -27.89 19.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -94.48 -22.09 18.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 132.95 32.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -112.66 95.8 5.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 148.45 163.75 11.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.763 0.316 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.27 165.19 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.46 172.27 7.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.74 123.64 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -101.04 31.01 3.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.77 -56.22 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -52.31 -34.44 46.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -93.36 152.53 41.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 83.96 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 2.278 . . . . 0.0 112.357 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.8 tp-100 -111.05 152.04 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.82 20.52 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -101.49 143.42 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.53 23.44 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.37 -32.77 49.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.64 -62.79 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.44 100.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.786 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.8 -39.07 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -77.86 -48.79 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -30.83 31.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -52.01 45.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -50.75 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.13 -25.68 74.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -79.92 -33.63 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -59.07 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -57.51 -23.72 51.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.13 -39.62 29.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -51.86 -43.56 63.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.92 -45.85 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.83 -45.08 70.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.484 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -39.97 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.78 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.94 -34.27 62.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -66.65 -34.25 77.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.9 91.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.056 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.23 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mtt -52.4 -49.67 64.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -58.5 -46.04 87.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.99 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -85.04 -7.1 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -22.44 48.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -51.77 -31.43 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -135.25 54.43 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.53 -26.62 55.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.99 -49.11 56.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -135.21 128.31 31.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 p -112.09 154.36 25.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.5 p -84.98 138.28 32.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.08 -24.96 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.71 -49.93 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -56.34 -46.92 79.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.96 -47.73 81.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.87 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.91 -28.61 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -62.88 -53.56 52.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.12 -31.04 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -68.42 -36.46 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.99 -53.96 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 p -53.3 -36.89 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.36 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -44.65 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.47 -31.6 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.14 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -59.92 -52.45 65.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.9 t -54.6 -52.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -30.57 29.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.4 m -79.65 -27.4 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.7 mt -74.83 -40.63 60.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.09 -50.97 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -59.23 -32.24 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.3 t -76.08 -37.52 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.29 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -71.4 -33.9 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.37 77.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.52 -38.13 62.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.0 mt -74.67 -25.89 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 -72.45 1.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -45.98 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.13 -26.0 35.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.99 176.96 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.17 56.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -137.92 173.62 11.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -149.06 171.08 16.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 t -76.8 86.6 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.7 70.32 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.64 -33.83 7.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.42 167.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.805 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 63.96 158.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.5 -29.51 17.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.46 15.04 13.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.52 -26.32 42.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.72 101.84 2.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 t -151.59 101.96 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -178.01 145.83 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.003 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m 57.28 71.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.83 104.09 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.516 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.9 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.859 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.35 71.95 9.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -24.36 8.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.7 10.85 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.3 mm -78.74 -69.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 5.5 ptp -161.59 49.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -122.26 61.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -75.44 -52.29 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -115.9 160.47 35.08 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.656 0.741 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -20.89 34.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.612 2.208 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.46 70.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -43.53 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -55.49 19.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . 0.407 ' N ' HD22 ' B' ' 680' ' ' ASN . . . -70.15 144.91 40.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.28 176.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.83 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 61.27 -178.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 140.36 39.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.2 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 37.9 mtp -58.55 -25.29 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.99 32.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.22 -31.81 59.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -43.98 94.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.06 -47.82 64.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.52 24.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 26.6 m -60.68 -36.75 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 0.0 111.137 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.45 -46.14 81.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -52.64 -40.83 63.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -32.82 59.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -44.16 74.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.5 88.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.33 -31.87 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.89 -41.64 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 8.3 mt -72.95 -32.61 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.15 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.27 -31.77 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.88 -52.93 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.21 -29.81 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.88 -25.78 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.15 -26.03 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.3 mt -101.09 25.43 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -52.1 -51.06 60.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -26.42 59.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.33 -31.65 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -52.02 149.14 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.43 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 81.63 16.93 71.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.7 -27.2 6.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.6 p -77.64 -30.42 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -173.06 -120.66 0.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.0 mt -54.89 143.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 174.62 6.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -62.84 -40.87 98.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -74.71 -42.66 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.32 79.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -70.02 -54.27 13.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.59 -28.05 30.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.09 -26.51 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -76.28 -53.0 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -56.7 -41.73 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -49.99 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.96 -46.09 86.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -57.3 -54.74 43.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -57.47 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.25 -33.74 42.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -66.72 -50.48 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 2.0 mt -57.14 -48.75 77.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 32.5 t -52.15 -49.3 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -70.42 -30.52 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.08 -38.78 71.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -70.17 -52.75 21.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.97 -23.3 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.93 62.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 57.8 ttp -65.66 -36.46 83.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.68 0.58 42.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.1 p -61.08 -18.95 60.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -4.83 44.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -56.16 -51.02 69.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -82.15 -17.23 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.48 -29.15 15.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . 0.407 HD22 ' N ' ' B' ' 614' ' ' GLY . 4.8 m-20 -67.85 -39.95 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 85.3 m -59.18 -23.7 62.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 33.0 mtm -51.66 -30.02 20.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.49 -30.16 19.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.62 83.27 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 8.0 ttt -55.89 -25.68 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -57.39 -26.87 61.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -71.72 -12.32 61.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -51.61 132.55 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.8 -55.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.216 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -22.96 20.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.23 -60.9 2.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.77 -24.72 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.08 -25.24 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 174.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -124.3 -72.25 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 136.34 110.34 1.03 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.447 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.763 0.316 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m -123.25 83.04 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.6 120.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -124.03 133.07 53.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -141.87 63.03 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.35 -55.68 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -148.71 54.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -94.96 152.45 39.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 80.8 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -80.13 -37.42 33.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -132.0 78.54 1.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.26 -36.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.63 29.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -41.72 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -30.13 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -158.86 96.89 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.99 -30.66 22.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.1 -45.47 94.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -34.38 39.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.05 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -49.88 14.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.77 -37.91 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.04 -25.72 74.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.6 -30.23 52.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.87 -58.72 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -56.05 -25.6 45.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -74.69 -32.26 62.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -67.94 -46.41 71.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.19 -47.47 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.02 -46.81 68.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -73.04 -43.11 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.72 68.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -73.93 -39.52 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.55 -34.27 77.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.15 79.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.57 -26.31 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.8 mmt -72.69 -31.68 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.81 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -48.2 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.47 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.16 -7.0 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.76 -22.57 47.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.76 -30.92 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.73 -57.73 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.62 101.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.01 125.0 4.49 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.13 171.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.7 t 62.07 86.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 p -174.39 60.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.22 -54.27 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.155 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.19 -41.64 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.95 -35.03 74.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.53 -54.07 50.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.72 -47.22 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.43 91.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -67.49 -40.33 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.77 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -67.5 -32.63 73.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -71.91 -55.15 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.65 -32.42 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.84 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -41.52 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.54 -37.9 51.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.21 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -57.26 -52.86 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.19 -53.29 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -36.19 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.1 m -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.6 mt -71.88 -48.07 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.4 -33.68 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -32.67 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.6 t -76.89 -34.1 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.19 77.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.02 -40.85 82.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.47 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.7 -38.69 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.2 -28.03 62.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 -71.72 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -43.32 65.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.72 -25.95 42.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.75 -169.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.9 -27.65 4.22 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -175.53 170.88 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 111.064 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -153.3 164.57 37.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.39 84.79 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.31 60.24 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.22 -30.96 7.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -167.85 177.45 5.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.42 155.51 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.25 -26.77 21.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.24 -33.33 65.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.38 -63.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.3 t 52.03 40.9 29.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.93 -177.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.188 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -126.5 134.05 51.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.79 107.78 5.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.31 -99.27 1.37 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.878 0.37 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -132.53 21.21 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 2.1 p -97.55 -14.04 21.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.55 11.01 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 35.0 mm -79.11 -72.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 1.2 ptp 179.92 53.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -131.18 -176.31 3.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -85.77 -170.1 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -62.32 160.53 31.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.44 37.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.84 68.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 20.8 ptp -87.37 -29.72 21.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.63 88.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 140.86 74.51 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -139.15 -56.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -90.03 177.08 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 144.9 115.94 1.03 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 -27.12 62.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 4.7 mtp -56.18 -25.26 46.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.49 -30.96 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.058 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -42.88 60.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -57.15 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.77 -32.94 46.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.57 24.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.7 m -64.67 -38.84 92.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.32 -39.59 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.62 -50.11 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.4 t -64.26 -53.21 52.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 9.0 tp -61.76 -34.88 76.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.83 93.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.44 78.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -55.9 -42.3 75.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 78.3 mt -73.26 -35.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.61 -42.39 82.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.7 p -77.42 -31.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.82 -50.48 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -69.99 -29.71 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.25 62.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.28 -24.65 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.92 25.66 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -55.22 -49.11 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.7 m -55.43 -26.32 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.48 -30.87 42.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -52.08 150.24 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -96.4 -65.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.1 -28.99 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.78 25.94 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.813 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 4.1 p -126.96 24.64 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.52 -106.32 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 54.6 mt -78.33 144.18 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 0.0 111.106 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.36 170.83 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -60.89 -42.07 97.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.16 -42.05 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.57 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -70.2 -53.75 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -53.81 -28.79 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.75 -23.89 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -76.35 -51.55 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -51.9 -49.4 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -58.08 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -56.73 -48.57 77.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.7 34.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 28.6 tpp -55.59 -43.03 75.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -53.54 -56.49 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.43 -28.25 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -37.1 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 99.4 t -66.94 -51.47 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -59.15 -30.41 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -55.96 -26.97 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -85.77 -52.23 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.14 -25.28 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.34 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -47.17 68.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 24.9 t -62.31 -21.7 65.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 28.4 t -51.97 -30.46 25.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.9 -21.09 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -53.43 -28.12 28.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.59 -22.18 55.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.61 -29.67 18.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.138 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -52.03 -48.99 64.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -32.1 62.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 15.9 mtm -54.68 -26.9 36.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.36 -29.12 22.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.3 ttm 63.32 105.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.19 -26.65 40.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.81 -46.09 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -26.36 68.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.06 77.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.4 t -110.52 -34.78 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.36 -23.01 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.41 -60.76 2.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.68 -24.8 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.85 -26.28 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -58.63 7.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -84.84 142.98 29.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 94.05 138.2 9.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.352 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.32 136.61 23.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.78 103.44 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.6 mt -100.2 -35.59 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -172.33 52.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.41 -43.12 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -164.98 58.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -127.04 152.47 75.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.578 0.704 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 84.5 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.638 2.225 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.03 151.81 27.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 mp 54.61 27.45 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -81.48 132.09 32.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.83 27.58 16.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 t -59.23 -28.18 66.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.89 -26.01 64.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.06 93.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 -29.72 68.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -57.18 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.76 -39.58 74.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.62 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -42.1 49.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.25 68.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.74 -25.69 74.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -74.63 -26.72 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.1 tpp -60.57 -58.64 7.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -57.06 -25.65 59.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -69.1 -39.13 79.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -45.64 91.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.09 -46.51 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.08 84.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -73.08 -41.64 63.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.62 -28.87 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -70.7 -33.33 70.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -57.9 -33.91 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.05 -49.22 72.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.15 -65.66 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 ptp -51.98 -37.09 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.3 m -58.82 -40.76 85.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.44 71.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -6.95 59.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.74 -22.73 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.067 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.67 -30.45 21.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -123.57 -45.07 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? 61.16 72.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.33 158.37 12.31 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.87 -173.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.78 -170.16 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 169.68 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.74 -57.3 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.094 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.51 -38.78 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.81 -34.42 78.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.73 -54.01 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -50.98 59.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.58 89.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -64.12 -36.45 84.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.75 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -69.09 -54.75 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.99 -33.57 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.83 98.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.28 -41.56 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 -33.18 35.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.09 99.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -62.94 -52.57 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.53 -31.61 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -71.17 -50.77 29.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 m -59.62 -49.47 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.2 mt -54.5 -28.43 44.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.59 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.984 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.4 -51.6 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.8 m -59.82 -32.92 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.09 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -70.11 -33.94 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.85 -36.4 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -81.24 -39.12 25.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.7 mt -75.64 -29.23 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.77 -75.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 -32.25 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.04 -59.23 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -178.14 -176.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.03 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.77 143.0 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -141.93 171.05 14.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 111.191 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -120.62 165.25 15.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.6 t -143.64 78.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.0 68.38 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.158 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.19 -28.5 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.54 -179.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.95 155.8 41.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.14 -35.72 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.86 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.9 -63.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.6 p -61.72 156.7 19.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.56 -177.44 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -144.31 146.48 32.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.4 p -70.8 142.15 51.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.26 -175.95 15.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.3 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.829 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.9 mtp 55.12 61.04 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 11.4 p -121.17 -18.22 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.06 10.97 29.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 25.5 mm -76.29 -70.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -168.85 -83.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 49.15 35.39 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -67.16 -29.13 68.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.44 93.65 47.5 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.3 37.64 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.414 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -53.58 -44.78 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 5.4 ptm -58.61 -31.77 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.28 126.81 31.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 93.67 136.82 8.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -99.85 -30.39 12.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 62.61 91.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -101.71 -104.14 2.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -94.37 -34.83 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -31.13 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -56.41 -31.01 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.67 -49.19 76.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -55.64 20.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.48 55.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.85 -24.64 34.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 32.7 m -59.91 -42.69 94.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 111.13 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.13 -47.12 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -37.74 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -53.06 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.4 -38.88 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.95 -52.44 35.02 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.51 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.306 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -55.88 -42.01 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 70.7 mt -73.48 -32.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.44 -53.15 38.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.27 -31.67 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.58 -41.91 98.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -37.51 86.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.79 -22.19 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.5 mt -117.16 36.02 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -56.38 -49.48 74.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -26.11 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.2 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -58.4 144.07 43.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -92.54 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 106.36 -21.58 32.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 26.33 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 56.5 p -119.68 -31.13 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.93 -117.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 55.8 mt -54.45 143.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.12 170.67 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -63.82 -38.91 92.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.67 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.19 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.46 -41.61 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -52.75 -56.04 18.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.35 78.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -56.24 -50.89 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -61.06 -56.13 24.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -50.88 -48.97 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -63.37 -35.23 79.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -67.79 -54.91 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 38.5 tpp -58.16 -39.66 79.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -55.39 -56.14 23.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.47 -28.15 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -37.49 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 99.1 t -67.11 -51.21 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -65.99 -38.9 89.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.25 -25.07 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -85.47 -57.56 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -23.5 62.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -37.22 59.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.9 ttp -52.34 -49.85 63.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -23.95 33.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 9.8 t -54.63 -33.31 60.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.13 -14.07 37.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.091 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -51.56 -43.5 62.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -81.61 -17.1 49.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -56.29 -22.92 33.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -56.27 -70.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 35.5 p -54.98 -35.4 64.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.5 ttp -51.82 -37.48 51.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.2 -35.06 74.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.86 174.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 5.2 ptp -92.65 -29.04 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -53.45 -48.89 68.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -70.62 -44.88 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.73 101.41 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 1.8 p -106.01 -49.57 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.19 -23.58 20.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.93 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.78 67.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.09 -25.09 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 178.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -60.53 -59.93 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -175.92 -111.36 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.717 0.294 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.76 159.48 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mp -88.91 -62.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp 56.07 -172.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.0 74.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.87 -61.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -132.39 42.57 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -119.13 152.45 52.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 83.25 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.763 2.308 . . . . 0.0 112.314 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -58.04 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.17 24.54 12.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -75.15 -26.59 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.1 52.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -77.29 -26.3 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -49.71 62.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.06 102.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.94 -27.62 8.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -72.28 -51.78 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.19 -31.11 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.82 85.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -38.48 59.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.74 89.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.13 72.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -27.4 65.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -58.69 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.46 -26.21 41.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -72.9 -29.84 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.78 -45.37 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.22 -47.81 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -46.83 65.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -72.96 -34.05 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.51 -27.63 65.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -71.62 -32.59 68.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.77 -34.73 40.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.38 -33.55 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.82 -19.3 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.0 mmt -51.7 -30.32 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 p -52.03 -43.93 63.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.4 -29.06 56.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -67.32 -13.36 61.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.75 -41.8 74.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 63.62 -83.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -110.48 25.02 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -114.97 25.87 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.69 -46.08 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -144.6 132.37 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.13 145.64 29.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.3 85.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.792 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.38 -25.68 50.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.28 -26.27 62.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.11 -34.7 68.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.95 -47.85 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.4 -56.93 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.99 -28.5 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -62.85 -53.12 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.14 -30.85 68.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -68.11 -38.73 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.8 -54.28 16.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.53 -36.98 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.47 33.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.75 68.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.77 -38.12 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.24 -47.65 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.9 t -60.47 -46.11 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -50.35 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.3 m -54.5 -46.14 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.19 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.05 -44.99 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.24 -52.79 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -49.52 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.7 t -56.56 -33.06 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.44 80.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -69.68 -35.78 75.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -79.96 -40.81 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.75 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.31 -69.27 2.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.529 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.53 -32.39 50.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.15 -47.87 84.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.84 -169.81 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.47 -43.27 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.1 m -144.21 121.55 11.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -87.1 -177.9 6.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.1 t -80.92 84.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.38 59.35 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.45 -27.88 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 63.24 -179.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.03 156.56 24.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.65 -35.95 17.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.07 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.99 -60.53 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -53.16 169.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.13 167.51 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -64.51 -175.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.4 t -162.97 -171.31 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.79 30.81 8.64 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 119.368 -0.348 . . . . 0.0 110.914 -179.906 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 35.1 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.67 71.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 97.3 p -115.99 -24.47 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -89.78 10.88 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.3 mm -78.65 -69.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 18.7 ptp -161.59 49.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -122.51 54.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -106.24 -27.95 10.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -126.46 93.62 42.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.71 0.767 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -17.54 37.64 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -77.39 -33.86 55.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -27.86 26.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 8.8 tt -59.24 -39.88 84.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -138.13 141.42 12.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -144.77 152.74 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.773 0.32 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 61.37 85.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -111.21 136.32 13.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -38.14 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -26.6 68.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.54 63.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.46 -32.61 45.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -41.35 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -53.07 -45.05 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.9 -24.97 35.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 56.8 m -57.4 -35.09 69.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 54.0 mt -68.16 -44.36 76.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -36.91 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.3 m -75.93 -53.1 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 4.1 tt -57.85 -52.64 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.61 -36.51 48.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.46 -32.08 48.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.96 -34.08 77.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.28 -38.73 54.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.42 72.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 85.1 t -76.02 -31.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -51.4 45.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -64.98 -30.16 71.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.83 -25.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.24 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 11.2 mt -101.91 28.67 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.25 -50.15 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 94.7 p -57.61 -27.15 62.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.58 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -52.13 149.67 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -95.52 -72.28 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.8 -18.73 49.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -95.86 26.15 4.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -118.38 -28.28 5.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 167.24 -80.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.83 143.16 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.381 . . . . 0.0 111.18 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 174.29 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.99 -38.51 88.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -73.63 -41.19 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.11 -42.67 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -62.14 -42.73 99.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.7 -55.82 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.69 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -58.96 -52.72 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -53.42 -58.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -55.95 -54.68 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -52.79 -34.18 52.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.41 -54.25 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -38.63 54.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -55.38 -55.97 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.806 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -28.37 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -37.36 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 46.4 t -72.66 -47.93 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -51.77 -31.54 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.45 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -84.9 -51.1 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.0 -48.44 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.89 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 ttm -54.2 -37.8 64.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -27.4 33.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 31.6 m -65.09 -29.09 69.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.56 6.93 45.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.194 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -63.09 -26.58 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -61.37 -26.27 67.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.82 -30.36 23.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -52.8 -52.65 56.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 62.5 p -70.54 -32.09 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 20.9 mtm -57.96 -33.58 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.36 -30.35 28.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.5 mmt -52.56 137.05 31.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -26.28 45.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -56.81 -42.71 80.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -32.24 54.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -113.45 68.78 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 8.9 t -86.62 -34.38 19.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -23.07 20.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.61 -60.92 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.49 -24.64 67.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.83 -25.27 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.1 176.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.04 -68.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 92.01 -122.79 6.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.421 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.769 0.319 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -144.92 -48.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.53 137.0 58.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.05 58.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.33 72.71 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.31 -56.25 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -61.78 -38.38 87.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 pt -65.77 152.44 93.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -164.71 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.752 2.301 . . . . 0.0 112.376 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 179.0 105.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 58.13 22.49 9.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.6 t -71.48 143.21 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 74.16 -61.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.2 t -50.74 -56.14 13.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.36 -25.84 38.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 m 60.32 94.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.93 -26.18 64.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -55.06 -51.15 67.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.99 62.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.39 96.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -38.37 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.94 -32.07 69.83 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -28.75 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -58.8 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -58.23 -26.12 62.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.65 -26.92 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -46.51 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.1 mp -73.17 -47.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -47.51 64.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -72.98 -34.08 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.01 66.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -72.63 -33.0 66.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -52.63 -34.08 49.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.36 72.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.69 -31.0 62.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.09 -56.09 7.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.79 -46.55 71.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.73 -27.32 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -85.15 -7.06 59.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.61 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.73 -30.99 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -167.99 99.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -83.34 101.38 11.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.5 -91.08 0.1 Allowed Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.65 99.77 11.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.83 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.84 174.03 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.44 137.33 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.86 -52.26 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -26.23 64.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.99 -34.6 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.89 -54.06 21.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -45.93 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.33 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -68.28 -38.68 81.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.3 -30.95 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.05 -42.38 99.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.25 -54.7 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.94 -32.72 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.8 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.57 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.97 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.28 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -70.2 -49.84 46.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.5 t -57.34 -44.59 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -49.33 73.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.8 m -57.06 -36.28 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.3 mt -76.18 -33.37 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -47.92 68.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.8 t -54.81 -33.13 27.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.96 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -68.69 -35.64 77.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.37 74.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -79.86 -38.89 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.8 -31.98 63.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.35 -70.4 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -31.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.48 -60.63 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -173.48 162.83 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -105.0 -159.82 23.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -173.64 172.42 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -67.82 -175.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.5 t -81.56 83.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.73 55.81 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.18 -26.54 63.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 59.06 -173.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.53 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.16 -44.6 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.86 -28.49 61.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.6 -51.55 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.71 127.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 80.2 p -71.29 -52.62 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.203 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -170.41 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.0 m 56.98 77.57 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.27 -151.61 6.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 119.355 -0.355 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 4.4 mtm -84.61 64.26 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 88.3 p -117.46 -22.75 8.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.74 10.88 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 26.2 mm -78.4 -71.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 14.8 ptp -171.49 29.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.49 112.18 2.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.44 -30.63 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -116.32 93.59 40.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -43.8 2.41 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -56.13 -43.98 78.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -29.33 45.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.57 93.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -169.56 106.23 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.89 155.55 27.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.761 0.315 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -89.65 -176.98 5.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -168.67 -153.01 8.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.84 -56.79 3.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.787 0.327 . . . . 0.0 110.808 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -26.96 60.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.86 -31.09 48.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.05 -36.67 52.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.65 -48.13 82.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.78 -41.93 62.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.49 -36.19 46.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.9 m -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.4 mt -67.33 -57.7 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.74 -35.55 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 41.9 t -75.68 -37.15 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 5.8 tt -69.05 -43.26 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.3 -45.41 58.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.66 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -55.96 -44.09 78.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.25 -32.53 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.26 -40.42 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.41 -31.19 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.89 -52.83 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -65.03 -29.71 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.29 -24.7 65.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.62 -24.87 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.3 mt -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -56.05 -47.85 77.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -26.73 39.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.36 -30.94 62.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -53.26 149.53 7.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -93.2 -70.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.23 6.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.404 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.19 26.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 72.8 p -119.83 -30.86 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.28 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.0 mt -102.47 142.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.95 175.01 5.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -66.27 -38.4 87.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -73.37 -41.17 63.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.73 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -59.04 -48.47 81.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -54.25 -27.42 34.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.44 -27.33 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -75.79 -52.38 10.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -51.96 -58.98 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.34 -57.84 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -52.94 -30.34 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -69.16 -54.77 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 70.4 mmm -60.65 -30.09 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.8 -56.21 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.9 -28.29 58.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -48.39 64.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.0 -30.4 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -65.87 -30.64 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.18 -27.04 52.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -85.66 -57.02 3.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -57.09 -27.0 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.34 -47.79 39.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 27.8 ttp -51.89 -36.92 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.5 m -82.54 -26.98 31.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -31.57 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.66 -15.87 47.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -53.79 -27.63 30.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.77 -20.72 58.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.68 -29.33 17.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -51.61 -64.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -25.21 59.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -29.33 68.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.71 -34.44 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.8 ttm 62.09 -173.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -83.82 -26.63 29.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -55.78 -66.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 17.6 mmt-85 -57.62 -34.97 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -101.26 62.61 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.0 t -84.03 -33.94 24.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.36 -23.35 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.77 -60.78 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.27 -24.74 67.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.28 -26.61 24.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -59.58 -58.84 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -156.91 124.78 5.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -148.73 -55.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.417 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.65 127.16 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -52.04 131.65 31.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.12 -71.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -119.63 81.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.86 -32.4 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -169.01 36.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 pt -86.68 152.46 54.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 85.63 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -104.45 153.57 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 56.5 25.11 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.1 m -82.6 169.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.42 24.65 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.9 p -84.75 -37.9 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -83.19 -27.25 30.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.96 101.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.66 -27.74 11.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -74.01 -45.67 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.19 -30.27 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.93 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -75.82 -23.64 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.05 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.06 -33.22 69.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.78 -24.25 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -56.08 -25.67 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -77.89 -25.87 48.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -71.92 -44.94 62.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.19 -46.45 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.68 68.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -72.91 -34.43 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.24 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -32.66 69.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.3 -33.84 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.25 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.16 -61.04 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.3 ptp -56.99 -31.49 65.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -64.44 -58.67 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.61 -29.06 70.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -85.08 -7.03 59.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.76 -22.61 47.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.047 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.81 -30.59 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.7 -69.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 52.42 74.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.12 100.29 0.14 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 58.28 80.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -175.8 -36.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.41 85.95 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.14 -57.61 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.22 -32.91 50.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -57.12 -34.5 68.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.55 -53.27 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.76 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.95 -38.54 88.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -65.2 -36.26 83.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.11 65.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -64.19 -39.71 94.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.77 -54.76 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.31 -33.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.89 81.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.38 -37.54 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.1 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.13 64.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -39.93 64.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 t -66.85 -45.81 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -42.59 98.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -71.02 -34.52 71.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.4 mt -76.25 -26.47 56.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.72 -30.03 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -54.21 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.3 m -55.47 -34.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.17 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -71.74 -54.04 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.6 -52.71 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -59.17 -21.41 59.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.06 -14.92 30.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.47 -86.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.55 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -33.13 21.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.85 -70.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -178.38 142.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.9 179.97 53.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -155.37 173.58 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -52.95 167.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.66 89.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.17 49.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.56 89.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.3 -171.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.17 161.39 19.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.26 -51.83 5.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.41 -29.28 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.05 87.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.05 128.27 34.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 t -141.85 76.77 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -127.35 -67.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 p 51.4 -170.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.92 -92.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 119.327 -0.368 . . . . 0.0 110.917 -179.86 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.6 mtp -108.66 62.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 4.4 p -120.84 -18.66 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.93 10.77 29.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 25.3 mm -75.82 -70.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -168.88 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 49.43 61.43 3.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -130.39 160.58 65.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.692 0.758 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -12.76 33.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.47 -45.76 62.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.06 -25.97 66.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.86 47.02 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 140.62 -142.06 11.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.51 -68.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.808 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 63.01 168.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 131.72 -154.86 21.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -95.96 32.59 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 7.0 mtt -80.31 -25.85 39.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.98 -30.99 38.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.83 -32.85 41.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.28 -35.76 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.365 . . . . 0.0 110.92 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.27 -25.07 31.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.8 m -56.19 -45.25 79.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -69.0 -39.5 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -53.52 -41.87 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.3 t -75.86 -34.99 60.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -52.79 53.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.2 -51.18 52.45 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.31 -42.57 66.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.72 -43.98 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 69.5 mt -73.41 -38.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.51 76.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 84.9 t -77.55 -31.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.81 -52.82 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -59.67 -29.6 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.4 -29.22 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.32 -23.43 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.66 25.48 5.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.91 -30.68 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.5 t -74.03 -26.34 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.4 -25.41 57.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -63.58 121.25 13.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 -26.27 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.42 27.0 24.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.17 20.77 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 18.7 p -120.3 -31.05 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 178.12 -99.62 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 56.1 mt -65.8 143.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.413 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.86 164.94 12.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -60.45 -40.54 91.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -74.11 -41.54 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.3 68.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -54.52 -52.51 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.52 -30.03 18.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.99 -51.09 7.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.54 -47.33 79.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -51.9 -59.14 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -38.69 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -68.82 -35.74 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -69.94 -54.88 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 34.3 mmm -59.94 -48.77 80.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -55.3 -32.77 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -72.23 -50.61 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.67 -47.72 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 42.1 t -51.3 -50.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -70.42 -31.31 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.43 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -62.03 -56.75 15.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -59.46 -21.9 60.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.7 -38.91 61.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 6.9 mtp -57.59 -32.14 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 5.3 p -76.32 -19.53 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 16.7 m -56.63 -24.14 46.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -14.78 60.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.129 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -51.77 -42.29 62.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -82.0 -17.08 48.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -56.46 -22.76 34.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -55.46 -70.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 22.4 p -54.29 -36.5 63.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 40.9 ttp -51.82 -30.03 21.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.83 20.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.07 144.69 11.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -61.71 -25.98 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.96 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.09 -40.02 24.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.18 63.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.1 t -118.7 -29.6 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.24 -22.91 20.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.42 -60.81 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.7 67.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -87.6 -25.24 23.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 120.34 6.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -139.89 96.22 3.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 72.28 -142.07 32.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 -179.884 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.29 141.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 163.42 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.0 -39.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -134.23 100.01 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.69 -61.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -129.57 55.72 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.5 pt -128.36 152.47 78.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 85.9 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.41 173.17 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.61 23.54 9.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -88.92 164.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.85 29.35 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.4 t -66.43 -26.41 67.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.93 -62.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 p -179.39 98.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.13 -36.33 4.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -52.77 -51.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -34.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.15 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -19.52 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 -50.19 73.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.32 -25.65 41.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -23.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -56.24 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -61.85 -24.06 66.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.14 -50.02 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -54.3 -50.32 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.77 -48.15 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.62 -46.16 89.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -72.86 -39.54 66.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.38 -27.77 67.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.19 -32.33 70.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -51.72 -33.91 36.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.72 -34.39 71.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.55 -4.27 44.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 mmt -51.85 -30.02 21.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 p -54.48 -37.63 65.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.77 -23.77 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -6.88 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.53 -57.07 13.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 54.01 23.14 3.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.78 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -44.74 70.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.99 -88.39 1.71 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -178.84 -71.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.943 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -52.16 141.77 17.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.45 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.53 -57.61 11.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 -31.88 71.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -61.29 -34.4 75.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -54.31 -53.19 57.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.45 -53.26 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -64.56 -35.94 82.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -30.64 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -68.84 -32.63 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -73.51 -54.04 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.78 -32.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -44.24 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.18 62.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.61 -40.1 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -63.97 -46.42 84.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.53 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -49.1 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.9 m -55.34 -49.73 71.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.8 -29.04 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.43 -43.37 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -74.42 -32.24 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.52 -34.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.51 -50.29 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -62.01 -33.31 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.4 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -69.53 -36.24 76.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.75 -33.36 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.27 -59.51 3.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.46 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -53.21 40.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.97 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.29 144.93 31.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.75 27.49 12.43 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -108.35 170.09 8.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -159.29 165.33 33.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.5 t -143.71 78.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.07 68.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.19 -26.6 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 59.29 178.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.83 -179.12 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -88.77 -27.62 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.52 15.17 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.11 -60.7 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 m -143.5 91.18 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.999 0.428 . . . . 0.0 110.909 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 m -114.82 -33.39 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -168.1 149.23 5.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.98 0.419 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.5 p -125.02 174.83 7.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.3 -165.08 37.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.887 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 58.25 72.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 60.2 p -116.15 -24.49 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.797 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.81 10.96 21.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.66 -69.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 15.1 ptm -161.75 49.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -122.79 102.98 8.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -141.03 -59.62 0.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -116.13 160.56 35.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.662 0.744 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -23.61 30.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.57 2.18 . . . . 0.0 112.381 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -66.22 -25.58 66.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -43.68 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 22.7 tp -56.38 139.23 49.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 94.93 -142.09 15.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -172.78 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -59.49 122.56 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -112.4 84.31 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.06 -39.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 3.0 mtm -67.22 -29.81 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.85 -34.53 54.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.65 96.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.45 -47.52 83.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.75 -42.77 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -61.96 -27.08 68.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 54.6 m -61.39 -33.91 74.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.883 0.373 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.2 -47.3 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.87 -43.12 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 t -70.48 -30.48 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -52.83 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.63 93.64 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -55.53 -32.36 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -66.45 -31.99 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 76.6 mt -73.24 -41.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.68 98.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.7 -31.13 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.51 -52.66 14.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -61.85 -29.62 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.58 -24.68 36.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 12.5 mt -106.55 32.46 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -40.48 96.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.05 50.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -57.08 142.16 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 92.62 2.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -69.17 -6.66 54.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.03 -14.13 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.9 p -105.14 -31.07 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.68 -134.84 1.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.42 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 63.6 mt -53.65 137.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 158.77 19.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -55.63 -41.17 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.92 -42.72 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.42 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -54.28 -49.74 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -29.7 18.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.95 -48.59 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.98 -50.72 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -51.8 -59.26 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.74 -52.67 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -52.24 -32.88 38.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.18 5.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -31.35 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.29 -53.84 49.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -74.69 -26.7 60.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -58.4 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.49 -41.8 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -72.63 -31.17 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -58.69 -25.63 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -85.6 -58.2 2.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -58.8 -55.49 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.02 -46.92 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 59.3 ttp -55.02 -32.14 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 17.3 m -82.81 -26.88 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 54.6 p -77.46 -47.76 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -13.81 61.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -55.07 -29.37 57.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -81.89 -24.06 35.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.53 -29.97 18.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.98 -54.88 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.1 m -74.17 -30.69 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 12.0 mtm -51.94 -45.64 64.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -81.43 -25.11 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.6 ttt 63.27 177.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -26.49 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.69 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -53.95 -30.7 47.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.73 121.79 15.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 64.6 p -140.06 -52.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.39 -23.01 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.65 -60.88 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.44 -24.68 67.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.41 -25.01 29.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -38.68 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -83.45 -70.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 159.35 -59.29 0.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.54 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.506 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -103.83 74.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -114.08 -61.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.78 142.87 29.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 t0 61.39 35.37 17.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.82 -58.18 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -139.48 35.79 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -78.77 152.44 77.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 111.168 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 86.04 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -98.41 -70.86 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -109.22 20.84 17.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.3 m -58.85 163.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 72.08 -70.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 t -51.81 -31.63 28.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -58.04 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 p -179.19 94.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -26.04 65.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -54.22 -42.51 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.71 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.21 -51.77 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.22 -38.67 90.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.59 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.15 -27.64 69.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -33.2 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ttm -56.92 -57.49 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.99 21.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -76.33 -35.89 58.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -48.62 73.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -66.92 -47.49 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.66 -45.82 67.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -73.01 -44.09 61.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.43 78.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.07 -51.19 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -41.82 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.57 -31.99 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.98 67.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mtt -65.52 -45.86 81.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -35.27 78.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.16 -25.27 60.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.23 -6.95 59.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.82 -22.6 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.044 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -51.73 -31.16 25.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -163.57 99.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.12 130.23 49.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.44 78.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 56.64 61.02 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.32 85.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -159.89 54.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.97 -57.55 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.53 -27.53 67.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -56.7 -34.44 67.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.4 -53.98 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.06 61.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.23 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.57 -37.26 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.99 65.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -65.74 -36.89 84.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.41 -54.77 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.35 -33.88 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.25 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.51 -36.09 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.43 -30.56 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -42.62 66.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.72 -47.05 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -51.18 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.9 m -55.16 -37.86 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.0 mt -76.27 -37.3 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.7 -34.44 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.87 -44.13 21.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.46 -37.41 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.03 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -68.98 -34.06 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.0 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.12 -33.4 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.71 -31.21 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.15 -63.45 3.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.92 -44.14 82.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.12 -40.36 67.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.58 151.05 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 175.07 140.79 3.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.0 t -173.37 171.27 4.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -74.22 164.98 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.2 t -143.76 78.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.08 68.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.97 -28.15 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.95 158.4 44.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.61 -35.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.2 -27.61 59.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.01 -37.15 61.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.77 -63.66 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.64 175.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.38 169.61 8.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.106 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -107.52 134.6 50.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.87 168.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.29 81.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.2 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.855 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.828 0.347 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 5.8 mtp -104.48 52.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.8 -12.63 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -89.5 11.25 19.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.55 -171.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 2.9 ptm -64.54 93.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -135.93 104.35 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.68 -69.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.05 160.53 49.19 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.693 0.759 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.15 13.04 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -54.54 -55.37 29.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 2.5 mtt -65.28 -29.14 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.24 -59.43 4.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -148.05 177.4 26.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -148.25 -66.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -171.53 -170.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 143.19 138.5 3.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.08 49.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 33.3 mtm -80.43 -30.76 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.43 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.052 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.99 -56.08 26.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -73.09 -32.24 64.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.357 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.21 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.11 -25.82 18.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.426 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.1 m -55.56 -36.07 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.81 -47.92 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.19 -37.62 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 m -71.18 -32.12 68.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -50.13 68.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -47.14 54.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.73 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.729 0.3 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.74 -43.86 76.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 50.1 mt -73.23 -32.66 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.18 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.19 -51.21 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -53.51 -37.55 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.7 -31.87 63.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.24 -24.65 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.36 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.4 mt -107.32 26.94 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -52.1 -46.55 65.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.2 m -55.38 -26.47 41.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.71 -30.41 40.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -53.97 148.39 10.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -97.95 -60.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.96 -21.0 42.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.45 -25.45 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.7 p -66.94 -29.1 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.17 -114.7 0.57 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 62.1 mt -53.93 143.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.51 175.95 5.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.5 -39.2 91.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -73.89 -40.31 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.07 74.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -66.7 -54.06 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -53.33 -28.5 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -84.22 -54.35 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.16 -50.66 70.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -52.05 -55.88 17.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.75 -47.19 64.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -62.46 -32.57 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.55 17.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 34.8 mmm -58.42 -52.38 65.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.13 -32.54 35.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.37 -51.31 21.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.01 -47.2 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.49 -51.24 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -70.58 -30.31 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -55.66 -50.06 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.86 -49.09 77.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -63.62 -22.12 66.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.84 -38.72 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 45.0 ttp -64.85 -44.57 89.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.75 0.58 42.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 23.7 t -52.16 -29.61 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -29.08 21.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.147 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -56.48 -24.9 49.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.32 -21.28 59.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.23 -30.51 17.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -55.73 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.11 -23.92 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.0 mtm -51.86 -30.17 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.61 -36.74 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.3 mmt 51.69 51.25 17.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -94.17 -30.74 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -89.91 -30.95 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.27 -73.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 56.99 81.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.6 t -106.76 -32.06 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.3 -23.1 20.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.65 -60.84 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.75 67.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.61 -25.03 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -53.96 155.32 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -122.57 125.03 44.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 140.58 125.12 2.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 59.84 93.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.89 113.04 25.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.1 mt -104.54 177.07 4.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 55.36 39.48 31.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.29 -51.08 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -156.65 80.01 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -121.79 152.52 59.2 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.711 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 85.91 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.621 2.214 . . . . 0.0 112.333 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -109.79 -42.82 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.52 26.28 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -88.38 168.18 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.79 31.56 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.6 t -81.31 -33.53 32.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.08 -32.16 73.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.8 p -161.86 100.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.12 -25.7 12.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -70.4 -44.24 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.66 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.72 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -28.47 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -50.54 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.62 74.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.547 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -28.94 49.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -58.79 6.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -42.41 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -55.63 -25.87 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -78.04 -40.82 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.98 -46.65 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.89 -28.83 73.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -35.6 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 -34.73 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -37.17 85.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -52.86 -34.0 52.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.86 -35.85 72.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.84 -36.03 71.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -45.38 87.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.29 -42.75 82.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.64 -27.86 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -7.15 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -20.89 58.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.73 -31.22 25.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.53 -52.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 63.25 29.12 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.27 33.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -67.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.11 -65.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t 63.15 38.35 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.72 -57.55 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.43 -31.07 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -69.03 -34.42 75.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.77 -54.09 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.06 -47.29 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.25 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -70.92 -38.53 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.0 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.26 -54.76 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.02 -32.44 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.68 86.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.24 -37.42 38.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.3 -31.48 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -35.24 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -50.08 38.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.03 -44.45 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.12 -41.68 93.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.1 m -70.87 -32.29 69.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.9 mt -76.2 -26.57 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.51 -29.64 61.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -80.07 -53.3 6.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.2 m -54.28 -38.04 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.16 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -57.5 -33.29 67.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.13 -27.87 59.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -82.01 -43.59 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.77 -22.17 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 -78.23 0.71 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.2 -30.96 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.64 -29.98 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.04 -69.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 160.95 -36.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.4 t -175.61 168.5 3.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -163.5 156.49 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.94 89.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.28 76.78 7.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.82 -28.21 7.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t0 62.0 176.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.4 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.67 -25.23 59.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.3 -27.03 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.11 -37.06 66.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.11 95.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.8 p -141.3 28.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -173.99 125.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.43 -176.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.1 -86.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.55 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 119.39 -0.338 . . . . 0.0 110.872 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 60.5 72.1 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 4.6 p -115.91 -24.45 8.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.84 10.86 22.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.56 -69.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 6.6 ptm -161.81 49.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -122.88 -175.15 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.05 -73.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -126.13 93.69 43.0 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.726 0.774 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 84.34 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -76.52 -54.88 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.026 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -86.01 -27.15 25.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.53 148.77 49.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -136.0 -146.87 5.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -130.54 -56.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.84 0.352 . . . . 0.0 110.796 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -170.3 179.05 3.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 163.68 157.26 9.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -101.54 53.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 23.6 mmt -79.47 -27.92 41.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.94 65.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.046 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -66.6 -42.92 93.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -61.08 -49.64 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.32 -36.88 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.058 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -73.26 -24.46 75.36 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.403 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.3 m -55.62 -43.72 76.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.127 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.87 -39.17 79.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -52.63 -45.8 66.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 23.1 t -76.17 -39.97 53.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -52.7 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.79 -35.25 90.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.442 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -56.1 -32.55 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.47 -35.68 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 80.0 mt -73.51 -41.52 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.14 96.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.24 -31.05 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -52.89 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.58 -26.55 63.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.19 -24.13 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.89 24.5 6.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -51.51 -49.49 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 17.6 m -61.03 -24.76 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.13 -22.78 38.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -51.44 147.97 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -106.35 -41.62 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 63.82 14.54 55.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.539 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -111.38 23.75 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.969 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.7 p -116.02 -27.97 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 159.14 -48.13 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 48.6 mt -105.25 141.96 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.389 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.94 167.12 11.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -59.91 -41.17 91.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.33 -42.72 58.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.56 74.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -54.46 -54.63 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -53.07 -28.78 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.04 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -76.16 -52.56 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -51.88 -46.68 64.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -53.15 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -58.11 -48.0 81.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.23 48.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -57.77 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.21 -33.04 39.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -68.32 -46.85 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 2.2 mt -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 78.8 t -53.36 -53.01 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.69 66.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.1 -42.49 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -75.12 -51.62 13.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -58.3 -22.75 54.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -40.51 63.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -64.97 -42.9 94.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.74 0.49 43.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 3.8 t -56.28 -27.45 55.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -12.82 61.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.112 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -53.06 -44.12 67.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -82.22 -17.09 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.13 -29.33 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -39.2 83.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -23.65 63.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 22.7 mtm -51.0 -31.19 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.38 82.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 3.4 mtp -59.09 163.92 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 17.5 ttt -91.28 -25.94 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.72 -49.4 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -63.72 -71.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.49 91.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 75.9 p -114.24 -46.57 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -89.18 -25.7 21.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.98 -36.9 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -49.31 -58.94 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -98.14 -57.5 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp 61.81 161.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 58.39 79.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 137.08 79.94 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.889 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.79 164.54 29.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.45 135.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.6 mt -98.84 159.23 15.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 61.13 52.11 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.15 -59.52 2.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -156.35 39.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -64.55 152.49 89.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.595 0.712 . . . . 0.0 111.183 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 86.03 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -29.02 10.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.94 38.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.5 m -57.89 157.92 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.089 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 72.02 -70.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -51.95 -59.04 4.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -78.94 -25.76 43.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.11 98.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.49 -25.66 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -52.14 -49.54 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.4 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.83 -44.93 74.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -31.67 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.64 -50.21 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.47 -29.98 75.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -25.37 60.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -58.77 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -60.78 -39.24 88.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.09 -44.18 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -63.58 -35.56 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.1 mm -72.92 -37.46 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.79 -40.01 95.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.58 -49.78 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.24 -27.98 62.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -32.65 69.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -51.99 -33.06 36.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.06 -32.76 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.73 -21.65 66.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.4 mmt -51.88 -30.35 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -55.5 -39.8 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.49 -24.71 53.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -13.06 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -41.7 74.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 63.47 -82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -93.31 -24.62 18.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.99 -27.4 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.14 -104.09 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -175.33 75.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.38 133.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 p -179.44 -57.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.99 -57.66 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.01 -24.79 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -65.07 -36.92 85.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -62.24 -54.12 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -55.06 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.3 95.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -61.74 -39.03 90.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.96 66.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -64.9 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.87 -54.91 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.03 -33.63 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.32 88.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -35.62 40.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.51 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -52.73 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.23 -31.68 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.72 -51.5 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.1 m -58.28 -52.12 66.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -52.94 -39.7 63.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.6 -41.34 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -79.84 -32.29 40.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.97 -51.5 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.26 63.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -62.92 -33.72 75.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.57 -51.45 59.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -66.66 -39.32 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.9 mt -70.72 -30.19 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.18 -79.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.85 -29.03 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.43 -65.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.57 179.93 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.43 162.07 2.2 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.0 m -113.98 110.82 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -53.26 172.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.35 81.01 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.81 64.28 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.65 -33.62 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 t70 62.37 164.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.14 172.53 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.91 -34.91 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.68 -29.93 68.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.02 -57.5 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -77.98 158.32 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.765 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.08 143.46 49.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 60.12 175.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.16 170.42 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.99 159.13 53.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.432 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.6 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.816 -179.847 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.912 0.387 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 81.0 mtp -81.4 -170.63 2.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.95 -59.59 0.54 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.48 -7.9 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 19.6 mm -59.94 -71.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.208 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 12.3 ptm -174.05 56.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -102.42 154.88 18.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -108.46 -71.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -126.81 160.57 58.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -16.85 37.65 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -52.28 -47.57 65.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 11.9 mtt -55.82 -47.93 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -72.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -110.8 148.87 17.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -134.8 110.8 9.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.829 0.347 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 61.4 172.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -133.77 42.24 1.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -95.51 -26.7 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -44.38 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -54.42 -31.09 54.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.98 -45.83 61.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -53.59 -56.33 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.96 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.88 -38.28 55.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.93 -24.43 49.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -75.78 -30.97 59.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.35 -42.17 99.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -52.84 28.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 2.6 m -59.82 -52.93 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 15.9 tp -54.22 -52.76 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.6 -45.59 54.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 72.4 mt -73.11 -38.46 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.74 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 67.2 t -76.39 -35.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.03 -50.6 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -64.75 -29.89 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.4 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.0 mt -99.83 24.58 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -56.82 -43.0 80.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -56.97 -26.03 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.04 -26.13 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -51.62 146.44 7.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 93.89 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -73.77 -2.83 61.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.5 -15.26 63.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.953 0.406 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -30.66 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.55 -133.57 1.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 62.2 mt -53.73 137.66 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.09 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.35 160.31 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -57.17 -40.74 77.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -73.98 -42.45 60.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.92 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -54.42 -51.18 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -51.96 -29.44 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.4 -27.38 20.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.22 -52.99 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -52.53 -52.76 53.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.63 -46.75 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -60.72 -42.63 97.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -65.46 -54.38 29.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -50.11 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -33.15 56.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -73.48 -43.35 60.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.58 -56.02 27.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 19.7 m -55.72 -39.02 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -70.41 -35.53 73.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.3 64.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -62.74 -47.17 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.51 -27.29 68.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.56 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 25.1 ttp -66.92 -36.26 81.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.74 0.5 43.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 48.4 t -52.96 -29.09 26.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.39 -26.84 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -52.45 -29.64 25.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.09 -25.8 46.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.62 -30.02 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -59.44 -56.05 26.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.12 -25.11 59.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.8 mtm -51.99 -31.17 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -63.16 -53.91 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.6 43.68 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -29.59 52.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -56.51 -51.11 69.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.26 -35.92 80.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -77.52 92.86 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 81.3 p -107.58 -44.47 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.35 -22.8 20.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.48 -60.8 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.76 -24.68 67.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.86 -29.32 25.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 171.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -149.54 75.49 1.27 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 74.17 -172.53 51.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.476 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -176.04 98.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.12 161.22 28.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.94 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.39 69.91 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.37 -61.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -127.01 56.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -107.45 152.45 41.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 85.46 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.394 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -90.72 -67.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.34 20.44 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 m -80.05 167.09 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.87 29.65 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -73.21 -26.58 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -69.95 -33.64 72.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 p -179.35 101.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.03 -37.74 4.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.01 -51.81 54.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.87 54.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -33.89 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.11 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -30.48 77.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.27 -31.58 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 29.7 tpp -64.43 -58.68 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -29.15 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.93 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.4 -41.73 93.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mp -73.07 -47.77 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.43 64.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -72.95 -35.78 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -32.56 72.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -51.61 -34.01 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.86 73.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.93 -15.92 60.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.5 mmt -53.89 -27.43 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 p -52.7 -40.38 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.34 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.68 -6.84 51.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.67 -57.45 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 51.83 24.84 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.69 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -178.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.21 59.77 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.27 119.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.7 p -142.03 153.18 44.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.27 107.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.9 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.25 -29.33 22.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -56.92 -37.55 71.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.9 -54.07 49.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.37 -31.42 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.19 -36.97 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -66.14 -35.54 80.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.01 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -63.53 -42.09 98.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.47 -54.69 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.63 -32.77 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -35.07 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.29 -39.27 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.26 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -32.44 65.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 tmtp? -74.53 -39.95 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.1 t -70.72 -44.81 76.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.82 -49.69 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -59.25 -35.13 73.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.7 mt -73.45 -43.13 60.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.82 -44.43 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.95 -43.23 93.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.6 t -65.93 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.05 72.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -71.65 -36.91 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.46 88.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -73.14 -42.33 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 99.0 mt -71.34 -30.08 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.83 -73.22 1.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -30.2 24.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.84 -39.31 74.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.16 -73.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.18 162.93 9.54 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 m -56.21 121.97 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -114.69 160.0 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.0 p -131.16 81.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.62 59.45 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.91 82.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.92 170.56 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.12 172.21 12.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.75 62.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.13 -34.15 65.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.98 85.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.041 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -158.12 121.96 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.62 -58.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -172.28 -174.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.15 108.89 14.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.167 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.37 169.41 14.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 119.379 -0.343 . . . . 0.0 110.846 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 4.1 mtp -132.02 55.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 1.2 t -111.33 -13.31 13.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -89.58 11.31 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -107.98 -174.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 4.7 ptp -65.01 104.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -141.45 -73.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 60.5 26.36 15.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.39 93.53 32.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -39.36 6.64 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -58.76 -55.24 37.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.47 -39.85 95.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 35.1 tp -71.4 102.2 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 86.84 119.17 1.18 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -175.33 105.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -144.8 129.39 18.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -103.28 -82.44 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -134.26 32.5 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -28.91 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.81 -33.31 48.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.9 -31.67 55.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -62.01 -42.36 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.62 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -63.92 -26.03 69.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 25.4 m -56.81 -43.87 81.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.199 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.37 -47.4 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -51.89 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 1.1 tt -74.35 -33.91 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.67 -49.13 67.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.85 68.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.37 -44.47 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 62.6 mt -73.16 -39.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.14 -32.26 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 89.5 t -77.15 -32.66 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -65.53 -52.49 52.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -62.57 -29.66 70.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.55 -25.03 36.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.9 mt -107.05 25.99 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -52.12 -51.44 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -26.22 43.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.68 58.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -52.09 148.53 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.11 -72.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.4 -17.88 52.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -95.9 26.16 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 30.9 p -119.22 -30.32 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.22 -83.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.9 mt -88.03 143.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.7 175.5 5.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -66.84 -38.67 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -73.67 -40.25 63.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.37 -41.89 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -63.09 -40.38 97.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.25 -55.98 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.23 -43.93 80.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -56.16 -51.79 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -52.03 -59.15 4.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -52.1 -46.0 65.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -63.01 -29.16 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.58 -54.48 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 83.8 mmm -56.88 -38.77 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.4 -56.14 23.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.83 -28.36 64.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.68 -37.1 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 54.8 t -72.19 -49.7 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -59.36 -30.64 68.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.12 -30.48 62.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -85.75 -37.4 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.85 -18.58 61.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.52 63.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 11.8 ptp -59.88 -32.13 70.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.3 m -80.91 -19.96 43.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 4.0 p -56.07 -25.5 45.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.805 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -13.41 61.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -52.77 -43.97 66.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -82.23 -17.17 47.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.37 -28.96 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -68.09 -39.15 82.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 5.1 m -59.91 -23.61 63.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 21.4 mtm -50.97 -31.17 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.03 20.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.86 63.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -25.62 63.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.74 -34.08 37.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -36.11 77.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.73 87.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 24.4 p -117.62 -38.98 3.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.31 -22.36 20.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.13 -60.83 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.29 -24.76 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.79 -25.09 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.66 -48.84 66.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -110.56 176.56 4.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 91.94 61.66 1.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.509 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -158.52 165.9 33.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.91 -45.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.11 114.96 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 t70 58.46 55.9 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.88 -37.03 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -167.42 74.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 pt -121.36 152.46 57.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.68 0.752 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -165.09 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.75 2.3 . . . . 0.0 112.304 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 179.74 119.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mp 57.45 25.57 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 m -88.95 -27.47 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.04 38.51 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.8 t -56.31 -29.39 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.69 -25.8 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.23 95.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.46 -25.85 24.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.05 -50.73 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.17 -46.37 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.06 88.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -43.32 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.46 70.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -32.26 83.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.414 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -26.8 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.5 tpp -60.72 -58.71 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -55.55 -26.1 41.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.5 -32.01 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -69.66 -41.72 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.2 mp -73.15 -50.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.42 68.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -72.87 -34.13 66.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.34 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.74 -32.67 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -51.73 -34.8 40.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.62 70.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.21 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.42 56.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.4 mmt -52.14 -29.58 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 p -51.92 -42.04 62.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.51 -25.64 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -66.99 -15.0 63.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.84 -56.95 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 62.24 -83.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -96.25 24.44 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -136.56 25.59 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.29 -76.16 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -135.38 152.12 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -114.79 161.86 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 p -179.26 112.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.16 -43.15 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.81 -26.97 38.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -57.89 -34.83 70.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.56 -54.07 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.47 -43.94 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.74 -42.15 86.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -61.01 -42.91 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.92 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -66.85 -33.54 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -70.81 -54.99 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.05 -34.17 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.06 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -37.63 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.54 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.33 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -61.68 -52.76 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.07 -31.42 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.94 -53.71 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.0 m -54.12 -47.02 72.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.84 -39.66 92.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -45.46 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.76 -48.8 62.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.2 t -54.47 -33.09 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -50.1 75.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.55 77.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.26 -37.23 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.66 -30.23 61.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 -76.94 0.94 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.416 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.33 -30.48 28.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.67 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.28 -72.79 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.65 168.61 21.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -100.13 170.34 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.726 0.298 . . . . 0.0 111.161 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -131.87 173.65 10.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.5 t -79.06 84.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.04 53.5 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.93 -42.92 47.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 57.12 -175.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.57 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.96 75.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.51 -37.15 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.89 -53.14 43.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.4 142.92 30.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.72 160.33 43.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -55.97 161.08 2.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.49 162.2 35.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.67 131.12 10.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.904 -179.881 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.846 0.355 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 55.9 mtp -147.93 -174.24 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.28 -61.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -11.08 44.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 18.6 mm -51.09 -72.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 16.4 ptp 179.99 46.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -120.46 70.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.43 -55.36 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -127.69 160.52 60.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.737 0.78 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -24.67 29.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.401 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.28 73.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 16.2 ptp -92.12 16.25 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.69 137.8 47.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 151.28 -126.87 2.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 6.5 m170 58.97 93.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -165.31 -179.89 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -160.35 -124.16 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.03 62.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.31 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.33 -32.86 29.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.09 -37.5 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.448 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -70.19 -56.38 6.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.6 -42.61 62.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -57.85 -24.41 53.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 15.5 m -66.0 -45.6 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.14 -36.57 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.97 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 10.4 t -73.57 -53.19 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -32.6 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.11 -48.72 77.47 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -55.94 -41.02 74.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 75.9 mt -73.16 -36.51 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.94 -29.1 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -67.58 -51.83 45.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -64.5 -29.79 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.16 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.21 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.73 25.61 9.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -52.01 -48.2 64.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 2.3 m -57.91 -26.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.15 59.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.01 150.2 4.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -93.39 -66.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.6 -29.52 12.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -97.99 25.33 6.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.969 0.414 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 81.2 p -126.87 24.46 6.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.75 -106.12 0.9 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.6 mt -79.38 143.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.21 173.57 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.29 -38.66 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.53 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.52 -44.03 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -60.36 -41.9 94.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -57.39 -55.85 29.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.25 87.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -56.25 -52.85 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -53.51 -55.85 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -51.53 -44.47 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -65.19 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.76 -55.14 6.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.42 -40.82 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.43 -55.8 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -69.03 -28.48 66.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.45 76.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.33 -52.08 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -68.2 -30.49 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.85 46.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -85.77 -57.92 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -58.53 -22.04 54.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.89 -30.68 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.18 -48.94 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 11.0 t -82.64 0.54 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 23.5 t -55.38 -26.22 40.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 1.5 m -53.09 -28.05 23.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -54.55 -27.1 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.39 -23.75 51.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.0 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -56.37 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 5.0 t -74.08 -24.36 59.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.154 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.1 mtm -52.03 -30.0 23.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.7 -68.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.2 ttt 52.1 44.05 29.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.7 mtp -79.13 -41.76 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -64.08 -48.15 77.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -26.54 66.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.53 97.58 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 13.5 p -128.1 -73.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.5 67.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.99 -60.87 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.36 -24.74 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.33 -24.83 27.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.85 -179.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -174.93 96.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 132.01 -144.97 16.77 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -162.75 -47.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.82 164.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.28 104.83 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.09 74.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -114.17 -61.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -125.08 58.63 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -113.66 152.42 45.45 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 86.58 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.05 152.36 41.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mp 57.68 24.23 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.0 m -89.57 167.72 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.9 29.58 6.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 t -74.19 -26.18 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.806 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -52.01 -30.03 23.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -82.28 125.52 31.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -28.83 67.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -74.55 -51.7 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.37 70.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.44 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -35.09 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -49.4 69.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.15 -37.43 94.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.412 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.6 -36.85 79.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -58.34 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -54.18 -27.37 33.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -69.24 -43.67 73.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -60.93 -47.76 84.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.71 -47.07 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.98 -46.56 76.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.0 -43.33 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.8 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -68.3 -50.88 50.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -53.76 -34.17 58.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.38 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.45 92.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.0 mtt -58.47 -52.17 66.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -57.98 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -26.07 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.19 -7.06 59.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.71 -29.28 69.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -51.88 136.56 28.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.0 m170 52.09 36.1 18.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 107.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.23 45.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.5 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t 62.66 171.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 t -128.4 167.58 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.08 -42.93 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.46 -41.27 69.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -69.72 -34.6 74.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.21 -54.05 49.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.94 -48.63 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -68.11 -41.98 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.86 -30.82 67.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -67.15 -33.74 76.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -70.76 -54.82 10.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.9 -33.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.09 97.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.22 -35.69 41.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.87 58.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.67 70.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -72.85 -52.6 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.75 -31.68 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.89 -53.62 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -56.08 -40.41 73.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.43 -26.58 66.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.87 -30.12 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.36 -51.57 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.817 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 31.7 m -58.42 -32.91 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.26 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -71.64 -34.06 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.26 -30.91 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -80.88 -43.36 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.8 mt -75.66 -25.22 56.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.98 -71.37 1.95 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.581 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -52.23 -38.91 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.23 -30.78 66.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.71 163.04 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.3 -29.59 3.4 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -65.87 139.31 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.036 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -104.6 165.66 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.3 t -143.5 78.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.145 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.02 68.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.58 -25.93 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -118.86 87.01 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.75 -176.1 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.95 -25.51 30.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.48 15.05 13.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.59 -52.88 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.1 t -108.99 -55.66 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.03 169.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 61.49 175.36 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.71 161.39 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -91.07 51.61 3.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.897 0.38 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 4.3 mtp -126.26 62.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 8.2 p -120.48 -18.4 7.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.97 10.84 29.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 27.2 mm -75.89 -70.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -170.09 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 50.96 -169.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -135.62 -176.19 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.32 160.42 9.5 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.67 0.748 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.54 35.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.291 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.07 -33.02 70.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 1.5 mtt -91.88 -55.26 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 1.3 tp -68.33 -67.74 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 137.0 79.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 71.4 -70.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 63.91 158.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 132.66 146.47 5.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.53 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -89.34 56.7 3.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -23.84 35.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.22 -31.2 30.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.35 -31.99 57.24 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -72.27 -33.37 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.88 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.44 36.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 5.7 m -62.27 -40.24 95.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.17 -37.58 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.28 -39.0 89.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.0 t -75.8 -53.13 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.92 -41.19 95.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.02 -39.99 50.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.79 -40.06 72.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.34 -32.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.92 -53.48 31.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.4 -40.81 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.12 -39.65 90.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.536 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.71 -31.6 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.22 -24.55 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.24 -24.01 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.3 mt -109.35 28.51 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . 0.536 ' NE2' HE21 ' B' ' 637' ' ' GLN . 6.7 mm-40 -55.53 -47.37 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 12.0 p -55.4 -26.32 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.98 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -53.28 144.58 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.07 -64.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 98.27 -19.67 53.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.77 26.96 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 23.2 p -119.27 -30.37 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.63 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.8 mt -75.03 142.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 171.57 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -73.62 -41.31 62.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.27 74.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -60.28 -42.23 95.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -55.85 -55.95 26.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.52 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -56.14 -52.47 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -51.96 -56.3 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -48.46 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -60.43 -33.41 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 663' ' ' MET . . . . . 0.4 ' HA ' ' HB3' ' B' ' 666' ' ' LEU . 74.7 mmm -61.08 -32.58 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.13 -56.36 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -75.49 -28.01 59.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' B' ' 663' ' ' MET . 0.2 OUTLIER -67.08 -48.8 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 14.8 m -73.49 -30.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.3 -40.52 74.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.22 -52.14 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -59.61 -32.5 70.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.43 -25.78 66.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.933 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.46 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -68.79 -32.01 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.59 0.52 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 5.8 t -64.08 -15.57 59.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -23.03 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -53.29 -27.82 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.7 -21.54 55.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.17 -30.3 16.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -53.19 -54.9 29.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 43.3 p -74.22 -29.53 61.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 12.1 mtm -52.62 -29.38 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.68 -36.05 45.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.71 45.72 1.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 9.9 ttt -89.0 -26.48 21.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.34 -34.71 48.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.167 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -76.0 -29.61 58.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -98.09 89.52 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 31.1 p -107.31 -39.28 5.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.27 -22.4 20.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.17 -60.85 2.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.27 -24.62 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.01 -25.26 26.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -43.53 75.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -99.51 166.3 11.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 162.5 173.8 31.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.446 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.755 0.312 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.73 149.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -178.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.48 26.35 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -159.14 26.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.13 -37.4 4.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -139.37 34.27 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 pt -66.79 152.51 95.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.586 0.708 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 78.58 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -100.25 -41.84 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.34 61.9 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 t -81.18 -68.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.88 46.38 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -52.16 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.1 -26.03 31.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t 63.06 101.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.18 -25.56 11.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.0 -51.74 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.54 -43.81 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.96 63.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -76.73 -40.98 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -37.32 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.27 -48.53 37.81 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.11 -26.24 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -58.63 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -53.2 -28.66 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -73.77 -33.91 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -46.79 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.01 -46.02 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.62 -41.69 65.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -37.55 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.89 -27.75 65.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.67 -32.69 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.91 -34.0 39.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.83 -41.36 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.33 -23.86 51.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.9 mmt -51.9 -30.15 22.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.9 m -52.03 -51.6 56.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.53 66.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.88 -12.87 61.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.08 74.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 63.52 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -92.58 -25.48 18.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -65.56 -26.99 68.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.67 -72.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.48 151.08 43.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 t -109.04 -74.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.79 98.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.55 -34.52 58.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.96 -27.11 41.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -59.27 -34.8 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.37 -54.11 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.37 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.02 96.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -63.13 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -31.05 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -63.72 -54.77 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.78 -33.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.51 77.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.17 41.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.09 -36.99 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.57 -29.27 61.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -74.61 -44.34 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.8 t -69.8 -41.26 79.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -66.68 -47.91 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -63.7 -33.14 74.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.8 mt -76.2 -27.68 56.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.27 -30.12 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -49.0 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.7 m -61.07 -32.84 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.86 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.42 -52.63 25.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -57.13 -35.87 70.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.36 -25.6 33.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.33 -71.56 1.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -46.58 65.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.25 -27.23 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.52 -64.59 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.21 -175.12 34.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.429 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 m 64.97 153.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.2 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -110.75 165.82 11.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.952 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.5 t -143.56 78.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.08 68.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.08 -28.19 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 55.88 90.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.01 -33.31 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.06 -26.4 49.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.86 -42.63 80.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.43 -27.59 67.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 t -80.36 158.68 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -53.39 153.9 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 61.01 171.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.72 100.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.06 135.18 12.68 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.948 -179.888 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.77 71.89 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 2.5 p -116.05 -24.43 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -89.92 10.89 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.6 -69.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 4.1 ptm -162.58 51.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -123.15 84.48 2.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.01 -55.82 8.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -130.21 93.68 32.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 -15.8 36.8 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.648 2.232 . . . . 0.0 112.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.93 -30.29 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.86 -32.48 16.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.24 -74.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 137.09 -104.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.435 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -173.99 167.44 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -173.08 -177.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 179.15 177.33 47.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -78.78 -26.02 44.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.801 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 53.9 mtp -53.88 -28.29 35.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -51.98 -29.73 21.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -51.78 -29.47 26.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -50.64 -32.03 17.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.369 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.85 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.69 -24.07 31.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 90.1 m -55.26 -32.89 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.128 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.27 -43.38 77.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -69.91 -48.9 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 30.9 t -56.37 -51.7 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 4.1 tt -54.51 -36.07 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.27 -42.11 81.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.25 65.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.315 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -55.99 -39.17 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.34 -33.26 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.24 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.41 -31.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.07 -52.83 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -65.96 -29.72 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.7 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.55 -24.17 34.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -106.97 28.31 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -61.27 -46.06 91.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.9 p -55.46 -26.35 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -80.5 -26.45 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -53.29 147.83 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -95.18 -72.03 0.64 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.9 -19.66 43.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.02 26.21 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.2 p -118.92 -29.76 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.54 -88.22 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.1 mt -84.34 143.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.51 174.1 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.05 -38.84 92.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -73.75 -42.57 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.23 -42.38 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -62.0 -40.92 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -55.98 26.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.07 71.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -56.11 -48.71 75.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -51.96 -59.28 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.3 -54.27 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -56.88 -27.39 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -74.54 -54.59 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 75.5 mmm -57.85 -35.54 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -58.56 -56.01 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.72 -27.71 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -47.88 79.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 22.7 m -73.99 -30.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -67.08 -31.06 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.74 67.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.06 -40.05 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -21.23 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.56 62.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 46.8 ttp -66.04 -38.18 87.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.72 0.61 42.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 4.9 t -57.95 -23.3 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.8 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -14.62 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.201 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -63.52 -47.41 81.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -81.7 -17.73 46.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -55.88 -24.26 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.3 -41.48 60.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 14.1 t -55.37 -30.96 61.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 67.6 mtm -52.81 -30.12 31.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.03 -30.09 23.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.81 103.38 13.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 12.3 mtm -54.79 -27.28 40.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.3 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -60.81 -31.54 70.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.69 87.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.3 t -136.47 -41.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.29 -22.78 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.31 -60.85 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.92 -24.72 67.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.92 -25.27 28.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -35.42 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 52.62 84.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 130.92 166.91 11.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.908 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 mtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -159.03 116.04 2.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.44 106.41 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.6 mt -101.69 73.0 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -167.89 62.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.72 -58.25 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -160.47 26.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -95.14 152.54 39.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 111.097 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 85.12 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.84 150.99 38.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.31 26.7 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.4 m -73.39 167.93 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.69 28.05 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 t -83.59 -32.01 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.788 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -51.98 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.22 101.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.9 -34.11 6.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -77.38 -35.42 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.01 -32.34 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.81 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -65.22 -38.11 89.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.38 -47.04 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.93 -50.11 54.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -32.36 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.06 -58.78 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -53.79 -31.45 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -75.37 -36.22 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -46.16 76.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mp -73.24 -52.6 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.51 -45.17 67.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.16 -35.71 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -46.34 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.25 -37.07 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -52.02 -33.85 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.86 -47.99 76.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.64 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -58.18 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -38.55 65.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.66 -29.36 64.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.059 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.12 -6.92 59.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.62 48.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.71 -31.57 26.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -175.2 94.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.05 98.78 11.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.91 -138.97 9.36 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -137.48 26.31 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.924 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 p -124.32 118.44 26.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.9 m -147.67 56.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.2 -57.37 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.24 51.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -67.41 -34.48 77.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.89 -54.15 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -32.15 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.77 -33.79 52.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -71.74 -34.67 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.89 65.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -64.99 -38.81 92.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.72 -54.77 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.3 -33.3 47.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.69 90.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.42 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.54 46.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.75 -30.95 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -46.95 35.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.18 -39.6 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -47.56 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.74 -34.18 77.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.8 mt -76.25 -27.1 56.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 mt -72.66 -30.15 64.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.34 -52.34 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.1 m -58.76 -33.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.1 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.68 -34.13 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.19 -36.63 77.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -80.99 -40.58 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.3 mt -72.78 -30.47 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.95 -72.46 1.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -52.08 -36.39 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.11 -57.64 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -177.83 154.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.53 -155.55 20.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -166.98 170.13 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -84.76 -170.69 3.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.0 t -83.48 83.6 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.64 56.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.71 -28.52 60.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -121.66 89.76 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.2 -33.39 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.39 -26.07 64.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.08 -50.31 16.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.91 69.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m -165.18 153.83 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.83 176.79 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -57.49 174.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.994 0.426 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 p -136.55 136.02 38.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.9 86.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 119.413 -0.327 . . . . 0.0 110.881 -179.896 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.841 0.353 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 21.5 mtp -140.46 51.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.96 -12.02 13.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -89.65 11.22 20.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.82 -171.18 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 10.5 ptp -63.98 109.78 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -154.62 60.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -124.11 -38.04 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -111.59 160.61 28.85 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.723 0.773 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -32.96 17.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.737 2.292 . . . . 0.0 112.316 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.35 64.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 9.1 mmt -82.9 -36.55 25.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.81 -59.55 3.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 176.1 118.94 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -179.22 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -143.02 -175.73 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.2 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 173.91 -145.16 8.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.448 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.93 41.56 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.795 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 6.5 ptm -80.9 -26.77 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -54.26 -31.73 54.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.1 -42.29 61.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.424 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -64.24 -37.39 87.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.32 -33.09 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -70.12 -27.74 72.53 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -55.69 -36.74 67.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.14 -36.38 79.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -46.9 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -30.49 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -38.09 84.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.14 -47.12 75.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.31 -38.37 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -44.01 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.26 -37.22 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.4 -49.73 75.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.78 -51.38 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.59 -37.17 62.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.561 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.79 -31.9 63.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.47 -24.66 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.16 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.7 mt -108.1 31.66 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . 0.561 ' NE2' HE21 ' B' ' 637' ' ' GLN . 7.9 mm-40 -59.01 -48.79 80.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.2 m -55.67 -25.98 42.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.61 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -52.15 147.04 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -94.33 -71.19 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.91 -19.87 40.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.413 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.11 25.95 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 14.0 p -119.79 -30.96 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.84 -98.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.572 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.1 mt -74.07 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.56 172.13 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -64.62 -38.87 92.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.76 -41.22 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.96 -43.8 74.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -61.52 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . 0.418 ' NE2' HE22 ' B' ' 637' ' ' GLN . 3.8 mm-40 -53.06 -55.89 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.96 -41.85 81.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -56.23 -44.12 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -64.36 -56.4 14.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -51.07 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -59.71 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -59.55 -54.48 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.26 -55.85 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.13 -28.48 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -36.84 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 40.6 t -73.49 -51.38 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.88 -30.73 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.62 51.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.69 -54.51 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -55.95 -25.48 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.72 63.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.9 -37.25 81.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 2.4 t -82.75 -22.85 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 1.2 p -55.83 -25.99 44.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.762 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -14.24 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -51.41 -43.38 61.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.7 -17.03 49.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -56.45 -22.73 34.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -56.41 -70.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 3.1 p -54.95 -35.39 64.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.6 ttp -51.85 -30.24 22.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.04 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.97 150.8 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 30.7 mtp -87.29 -25.91 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.9 -44.26 63.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 8.7 mmt-85 -77.71 -57.51 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 57.45 88.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 20.0 p -117.3 -62.02 1.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -73.88 -29.89 62.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.02 -37.36 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -49.1 -56.96 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -98.06 -57.22 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 3.3 tttm 49.39 -167.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -112.63 135.88 52.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -93.04 135.23 12.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.877 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.4 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.45 144.3 28.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.39 124.9 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mp -132.97 27.14 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.62 31.6 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.5 -61.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -116.45 67.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 pt -109.7 152.43 42.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 179.64 122.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 56.33 25.99 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 m -90.5 -28.93 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.15 42.19 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 t -59.49 -31.54 69.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -58.87 -42.62 89.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.63 99.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.77 -29.5 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -73.93 -41.51 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.87 64.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -76.7 -27.13 55.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.73 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.84 -27.17 73.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -27.63 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -58.71 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -57.89 -25.69 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -72.35 -41.26 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -59.76 -49.12 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mp -73.08 -46.52 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -45.72 68.13 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.96 -34.29 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -67.33 -34.71 77.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -60.52 -33.99 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.47 -34.01 65.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.54 -28.78 65.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.6 mtt -82.21 -39.6 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.6 p -69.34 -41.4 76.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.77 -36.71 67.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -85.17 -8.29 58.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.95 -22.93 65.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.56 136.4 26.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.9 m170 52.0 31.22 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -144.98 -74.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.59 -19.67 52.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.04 174.49 10.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.81 157.84 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -108.43 175.24 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.05 -57.56 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.35 85.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -61.79 -34.38 75.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -56.17 -54.04 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.38 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.13 -36.67 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -65.16 -35.48 81.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.47 -30.93 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -65.91 -36.9 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -67.65 -54.91 15.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.78 -33.76 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.88 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -36.63 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.79 -34.48 53.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.06 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -73.56 -48.59 31.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.63 -36.61 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -46.46 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.7 m -64.92 -52.03 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.7 mt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.04 -40.69 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -79.67 -34.69 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.36 -43.48 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.77 -43.79 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -65.43 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -73.18 -34.71 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.78 -25.52 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.71 -45.1 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.16 -29.21 21.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.99 147.48 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.06 -28.09 8.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m 60.75 100.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -130.72 164.22 25.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.3 t -143.2 78.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.27 68.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.17 -33.31 14.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.2 173.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.92 -33.46 9.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.65 -35.08 58.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.42 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.99 -60.16 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -114.83 129.86 56.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 t -158.16 94.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -141.27 -169.35 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.21 137.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.39 -82.56 1.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 119.391 -0.338 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 44.5 mtp -91.72 53.81 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t -113.4 -12.77 12.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -89.6 11.27 20.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.42 -171.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 10.0 ptp -64.11 109.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -154.55 101.61 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -115.29 -69.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -109.84 160.57 27.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -19.43 36.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -52.93 -44.93 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 2.4 mtt -89.37 -68.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 3.4 tp 54.91 61.08 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 133.46 -60.1 0.67 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.425 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 62.29 89.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -92.82 178.82 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -158.56 55.32 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.11 -66.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 5.9 mtt -65.78 -26.01 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.99 -31.03 49.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.91 -50.68 49.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -56.32 -49.24 74.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.86 53.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -61.61 -29.37 70.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.067 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.8 -42.47 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -68.76 -35.29 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 47.5 t -76.1 -53.15 8.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.55 -44.27 91.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.55 55.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.411 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.64 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.42 -37.82 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 65.9 mt -73.34 -33.12 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.18 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.6 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.36 -31.34 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -52.74 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -29.67 70.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.59 61.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.77 -27.81 33.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -99.56 25.78 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -53.35 -52.83 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -26.38 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.92 -24.25 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -55.6 135.69 50.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -109.66 111.92 23.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -83.08 4.6 80.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 18.96 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.75 -31.16 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.69 -119.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.8 mt -53.69 143.03 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.77 169.84 9.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -62.66 -40.14 96.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.8 -42.89 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.68 91.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -64.58 -51.11 64.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -51.91 -30.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -91.44 -25.22 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -76.23 -52.12 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -55.51 -53.11 60.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -57.8 -57.41 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -52.13 -47.49 65.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.87 -54.36 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.46 -38.8 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.3 -56.02 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.39 -28.38 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -37.34 87.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.92 -48.29 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -51.83 -30.78 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.81 62.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -81.22 -58.25 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -55.27 -35.92 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.49 -48.35 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.3 ttp -52.07 -52.06 53.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 3.0 p -68.4 -25.68 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 3.5 m -71.75 -57.02 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -12.33 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -51.47 -45.24 62.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -81.3 -17.07 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -56.92 -22.56 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -56.54 -70.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -35.27 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.6 ttp -51.92 -58.13 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.13 -50.36 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 3.2 ttt 63.15 50.39 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 8.8 ptm -55.27 -28.28 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.82 -43.28 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -80.96 -38.47 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -98.06 99.67 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.0 p -112.47 -73.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.1 62.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.59 -60.78 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.83 -24.67 67.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.012 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.88 -24.92 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -63.2 118.5 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -154.71 -64.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 145.0 -57.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.925 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -149.43 -70.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.808 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.47 -61.3 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tt -174.7 -60.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -116.58 45.78 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.02 -38.21 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -141.92 61.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.4 pt -106.6 152.32 40.69 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.73 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.298 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -179.87 -46.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -130.35 23.24 5.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 m -60.11 161.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 179.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 72.07 -70.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -52.21 -51.36 58.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -61.51 -34.96 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -170.18 131.26 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.9 64.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -58.66 -44.27 90.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.77 -42.12 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -26.1 60.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.01 -50.44 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.34 -28.74 73.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.15 -26.3 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -58.74 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.832 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -57.35 -25.22 59.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.98 -25.78 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -73.02 -46.47 51.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.03 -47.5 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.65 -47.18 64.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -72.94 -39.85 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.82 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -71.88 -48.53 45.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.78 -40.8 83.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.89 -29.78 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.0 -67.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.1 ptp -58.97 -24.83 63.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.6 t -64.42 -62.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.85 -25.1 60.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -6.93 59.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.65 -24.02 45.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -51.74 135.76 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m170 51.89 55.14 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.96 -74.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.02 30.77 41.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.442 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 63.32 63.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.35 122.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.793 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.15 97.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.0 -42.55 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.01 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -62.69 -34.4 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.94 -54.07 51.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.4 60.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -66.09 -36.28 82.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -30.95 65.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -63.48 -41.87 98.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.69 -54.7 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.49 -32.69 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.12 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.31 -35.21 41.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.07 -31.55 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.02 -29.54 70.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -74.55 -52.5 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.6 -31.62 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.48 -53.47 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -55.28 -49.32 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.92 -40.23 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.37 -37.02 76.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.72 -32.61 62.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.4 t -74.95 -33.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.76 90.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -68.9 -34.47 75.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.4 -35.29 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.95 -36.6 56.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -30.97 41.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.49 -64.17 3.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -44.81 66.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.46 -47.57 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.58 176.22 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.95 170.21 27.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.6 m 63.2 106.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.193 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -141.35 164.17 30.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.6 t -143.24 78.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.14 68.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.36 -33.6 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.05 -177.06 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.45 161.16 17.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.37 -38.56 34.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.186 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.48 14.97 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.53 -58.64 7.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.1 p -121.08 138.59 54.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.47 -64.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.213 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -120.29 -35.76 3.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.85 -178.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.46 100.24 0.15 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.405 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.394 -0.336 . . . . 0.0 110.864 -179.89 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 77.0 mtp -143.35 -174.49 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.24 -53.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -10.22 51.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 18.9 mm -52.89 -72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.59 47.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -119.0 144.72 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -122.23 -36.99 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -126.54 93.72 42.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.75 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -17.27 37.92 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -74.86 -26.18 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -82.65 -38.21 23.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 103.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 93.11 133.25 6.46 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.493 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -177.86 123.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.833 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 58.62 -175.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 135.3 160.98 9.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -123.47 -36.53 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.318 . . . . 0.0 110.811 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -26.35 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -55.39 -30.98 61.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.0 -33.73 44.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.79 -48.73 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -54.97 -34.88 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.03 -24.44 35.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -35.07 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.09 -37.02 80.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -69.72 -39.22 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -53.16 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.49 -52.62 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.4 87.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.14 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.85 -31.78 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 80.6 mt -73.14 -35.0 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.98 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.41 -32.37 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.26 -50.99 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.69 -29.82 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.19 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.6 -25.26 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.94 26.46 8.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -54.84 -44.03 73.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -62.31 -26.75 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.68 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -52.41 148.76 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -92.56 -64.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.73 -28.99 13.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -99.61 25.78 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 57.8 p -126.92 24.59 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.34 -107.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.78 143.83 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.11 175.5 5.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -66.54 -38.21 86.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.47 -41.3 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.65 69.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -60.96 -43.9 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.45 -55.91 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.41 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.19 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.93 -51.67 55.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.88 -53.36 41.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -53.44 -46.86 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.88 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -52.84 -57.8 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -52.27 -35.7 50.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -64.97 -48.98 72.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 18.2 t -62.01 -51.27 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.04 -27.45 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -85.61 -58.26 2.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.89 -27.4 51.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.9 -50.47 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -54.15 -40.06 67.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 10.3 t -82.6 -26.89 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 1.4 m -60.83 -60.04 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -12.55 60.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.168 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -52.87 -44.34 66.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.26 -17.08 47.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.32 -29.04 13.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.1 -39.35 82.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.3 m -59.77 -23.61 63.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 23.0 mtm -51.22 -59.24 4.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.52 -27.84 64.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.23 -170.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.3 mmt -78.74 -26.23 44.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -56.05 -57.84 10.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -58.9 3.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -87.13 95.1 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 1.9 t -112.82 -39.79 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.29 -22.54 20.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.22 -60.83 2.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.17 -24.68 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.22 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.99 169.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -57.2 167.22 0.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -131.99 176.04 19.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.526 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.883 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.18 -38.02 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.34 167.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.95 91.29 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -172.43 48.52 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.67 -47.42 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -164.55 28.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.5 pt -57.85 152.49 37.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 82.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 153.38 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 52.59 51.48 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.2 t -94.2 131.08 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.58 37.48 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -78.77 -32.92 46.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -70.69 -45.04 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 m 60.29 89.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.8 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.95 70.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -56.35 -48.8 76.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.88 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -77.14 -35.97 55.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.49 -50.67 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.58 -25.52 70.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.565 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.67 -30.07 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.5 tpp -53.45 -58.97 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -57.93 -24.79 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 m -51.91 -41.89 62.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mp -73.04 -48.37 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.56 -45.74 66.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.526 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -36.73 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.22 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -55.49 -32.69 63.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -39.05 58.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.2 75.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.2 -19.26 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.6 mmt -51.99 -29.79 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -51.9 -44.41 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.59 -24.46 60.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.02 -10.37 59.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.72 -57.03 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 62.68 -82.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.71 25.8 4.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.13 25.72 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 143.44 -84.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -99.1 170.42 8.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t -150.39 149.9 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 t -179.21 111.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.3 71.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.26 47.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -56.16 -44.1 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -54.2 -54.11 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.04 37.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.51 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -74.05 -39.14 63.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.89 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -66.05 -37.06 84.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -67.44 -54.83 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.98 -33.67 42.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.38 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -33.16 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.56 -31.49 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.18 92.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -52.59 64.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.89 -36.43 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -44.64 90.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 m -65.98 -50.25 64.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.3 mt -51.58 -34.35 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -54.9 38.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.0 -40.15 80.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.4 -32.89 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.84 -50.29 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.95 -52.5 28.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.51 -33.92 76.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.1 mt -79.66 -25.96 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.51 1.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -52.05 -44.97 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.64 -26.73 34.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.94 -70.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.12 -87.27 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.6 m -105.45 133.43 50.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -124.94 175.25 7.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.8 92.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.71 41.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.0 -25.31 14.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.44 154.65 34.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.04 -177.61 4.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.52 -29.56 37.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.06 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.4 -27.49 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.3 p -100.1 121.77 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.65 179.84 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -167.64 154.0 7.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.64 178.35 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.49 -74.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.543 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 119.334 -0.365 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.898 0.38 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -108.58 71.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 1.7 p -115.89 -24.19 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -89.82 10.91 21.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.1 mm -79.15 -69.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 5.1 ptp -162.38 50.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -123.2 89.37 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -64.12 -67.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -130.29 93.56 32.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.66 0.743 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -10.48 28.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.15 61.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 8.9 ptm -90.41 -25.43 20.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 1.9 tt -111.25 95.09 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 136.41 -166.91 24.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -160.58 -49.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 59.86 172.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 79.15 173.11 43.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -99.37 65.26 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 1.4 mtt -72.69 -26.02 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.54 -30.95 33.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -39.68 56.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -57.07 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -55.93 -40.62 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.0 -26.89 28.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.6 m -68.6 -42.0 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 0.0 111.113 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.35 -45.02 85.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -55.07 -44.35 74.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.1 t -65.24 -52.81 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.49 -41.48 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.93 49.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -64.0 -35.83 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.81 -42.97 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.17 -32.72 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.96 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.054 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 75.6 t -56.62 -51.49 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -53.63 -36.98 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.496 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.68 -31.62 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.72 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.79 -24.57 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 11.9 mt -106.33 25.73 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . 0.496 ' NE2' HE21 ' B' ' 637' ' ' GLN . 13.6 mm-40 -52.04 -48.18 64.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.7 p -55.62 -26.27 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.67 -31.68 32.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -52.05 149.18 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -93.7 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.31 -24.25 26.12 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.95 26.14 4.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 35.5 p -115.82 -27.53 7.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.11 -73.1 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 62.2 mt -95.57 127.28 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.52 160.6 22.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -51.98 -41.79 62.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.95 -42.67 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.55 94.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -64.78 -51.99 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -29.97 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.75 -47.84 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -59.0 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -52.01 -43.92 63.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.99 -51.45 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.02 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.47 46.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -51.4 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -32.98 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.94 -42.41 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.77 -54.91 39.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 25.3 m -60.43 -37.48 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -70.38 -33.75 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.36 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -53.59 -48.15 69.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.29 -30.37 38.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 39.3 ttp -65.96 -32.15 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 7.3 m -81.35 -0.88 43.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 -179.738 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 8.4 t -59.02 -21.45 59.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -16.94 57.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.113 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -52.73 57.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -17.99 61.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.55 -22.36 44.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -53.07 -36.5 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 14.1 t -61.8 -28.16 69.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 67.9 mtm -51.31 -30.67 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.56 -31.57 24.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 11.6 ttt -61.88 145.51 52.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -39.42 92.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.6 -39.49 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -48.54 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -56.04 102.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 67.4 p -137.38 -53.9 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.33 -23.04 20.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.73 -60.85 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.65 67.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.52 -25.11 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -42.09 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -57.77 -59.89 4.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -179.39 -115.98 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.907 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.13 -60.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.779 -179.752 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.15 148.73 22.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -140.33 -55.32 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -162.2 54.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.57 -30.74 13.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -175.31 33.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 pt -68.63 152.48 96.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 85.28 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.22 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.72 165.99 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 mp 52.94 31.47 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -93.78 129.67 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.27 41.14 29.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.5 p -52.46 -33.55 44.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -49.06 71.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.58 100.55 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.46 -28.95 12.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.96 -50.69 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.92 64.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.06 76.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -38.48 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.72 76.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.33 -31.47 68.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.11 -25.7 58.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.3 ttm -59.7 -58.93 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -52.07 -39.08 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.06 -41.75 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.0 m -70.85 -41.83 70.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.5 mm -53.0 -45.09 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.48 -36.19 54.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -34.04 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.8 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.91 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.67 -35.58 42.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.3 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.24 -21.03 56.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 mmt -51.92 -30.15 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 m -51.97 -42.69 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.47 -25.56 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.52 -13.26 61.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.72 -42.01 74.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 63.46 -82.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.43 -25.14 17.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -30.15 70.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.6 -70.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.32 166.5 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 t -174.19 175.32 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.8 p -148.5 173.1 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.52 -48.63 12.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.13 -24.98 44.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.085 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -56.14 -34.46 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.04 -54.01 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.48 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.87 -39.13 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -63.14 -35.62 80.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.92 65.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.7 -41.64 98.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.07 -54.81 32.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.95 -32.93 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -41.47 27.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.77 -31.5 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.61 -35.66 77.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -69.26 -53.44 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 p -57.5 -45.64 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -41.16 93.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.4 m -67.44 -26.98 66.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.5 mt -69.59 -44.84 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.31 -40.4 71.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.2 t -76.05 -47.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.94 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.01 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.402 ' ND2' ' HG1' ' B' ' 648' ' ' THR . 2.3 m-80 -81.16 -38.78 26.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -78.13 -26.35 47.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.13 -72.53 2.28 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.91 -40.19 60.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.96 74.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.6 -70.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.56 116.5 0.51 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.501 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.9 m -158.8 142.22 14.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -124.83 173.3 8.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.9 t -74.3 86.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.75 66.57 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.99 -32.5 20.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 152.25 40.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.8 161.18 40.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.176 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.32 -34.11 75.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.01 -25.74 59.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.0 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -68.86 151.39 46.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.792 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 m -137.44 152.83 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -74.61 154.13 38.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.4 m -100.41 125.55 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.74 -93.68 2.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 119.284 -0.389 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.29 72.34 9.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 4.9 p -115.96 -24.55 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.86 10.93 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.1 mm -78.61 -69.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 15.9 ptm -161.88 49.57 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -122.8 165.3 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.04 -61.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -124.48 93.6 46.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.751 0.786 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -36.54 10.7 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -60.4 -27.95 67.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -39.03 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 8.4 tp -59.32 111.63 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 67.77 159.75 1.31 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -171.28 -52.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.301 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -174.19 -172.63 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 155.73 -173.12 33.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -36.45 57.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.698 0.285 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 1.9 ptp -63.67 -28.27 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.56 -30.99 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.02 -34.56 46.72 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -53.04 -53.56 48.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.47 43.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -60.35 -24.23 61.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 41.2 m -75.67 -41.01 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.86 0.362 . . . . 0.0 111.174 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.79 -53.99 32.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -32.4 65.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 8.6 t -72.61 -36.5 68.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -51.3 15.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.97 -44.18 61.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -62.88 -40.79 98.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.91 -40.05 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.24 -46.75 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.63 -33.8 64.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 69.1 t -77.34 -31.22 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.13 -52.79 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.72 -29.75 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.7 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.32 29.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.4 mt -99.55 26.8 5.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -60.89 -45.48 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -26.59 66.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.81 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -52.6 149.42 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -94.19 -64.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.48 -19.19 42.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.57 25.83 11.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 648' ' ' THR . . . . . 0.402 ' HG1' ' ND2' ' A' ' 75' ' ' ASN . 21.7 p -126.91 24.54 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.47 -115.79 2.6 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.18 144.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.357 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.84 171.81 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -74.07 -42.73 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.91 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -65.43 -47.27 76.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.45 -51.45 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.6 -41.03 72.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -56.17 -52.95 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -52.13 -56.52 14.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.65 -40.12 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -64.58 -38.85 92.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.4 -54.71 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -47.48 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.96 -34.0 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -73.07 -32.71 65.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.96 -54.15 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 14.7 m -51.94 -44.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -70.7 -30.89 67.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.13 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -82.52 -56.36 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -61.56 -31.41 71.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -66.9 -49.73 64.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 8.4 tmm? -64.23 -32.51 74.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 2.0 t -80.24 -28.05 38.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 47.5 t -67.9 -59.15 3.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 1.7 m -64.77 -20.63 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -51.97 -29.94 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -54.96 -26.8 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -55.86 -25.16 40.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -53.08 -54.52 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 20.1 p -74.07 -30.52 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 12.9 mtm -51.95 -59.72 4.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -83.16 -27.25 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.05 -177.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.5 ttp -89.18 -30.18 18.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -53.69 -57.52 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -43.0 71.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -99.65 80.66 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 12.5 t -113.82 -31.35 6.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.832 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.43 -23.2 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.92 -60.82 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.64 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.16 -25.11 29.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.3 154.21 8.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -100.26 105.85 17.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 143.96 -111.97 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.413 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.463 -179.902 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.734 0.302 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.57 26.95 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.763 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.11 149.59 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mt -113.86 177.7 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -131.37 37.32 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.04 -58.57 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -136.96 74.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.1 pt -120.03 152.45 54.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 79.8 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -37.46 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -133.54 78.03 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -127.74 -40.2 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.27 34.92 4.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -55.53 -28.84 57.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -54.83 -54.85 36.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.82 104.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.26 -30.38 7.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.74 -51.18 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.46 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.55 90.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -33.58 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.7 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.71 93.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -26.04 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -58.7 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.44 -25.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.56 -48.89 63.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -54.58 -54.2 44.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.51 -48.44 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.09 -47.03 68.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -73.15 -48.85 31.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.1 -27.75 54.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -74.35 -32.82 62.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -56.84 -46.2 81.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.61 -30.4 60.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.16 -23.26 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.1 mmt -51.9 -29.95 22.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 m -52.43 -47.34 66.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -23.54 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -7.01 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.77 -57.26 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 52.75 24.18 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 177.95 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -30.69 24.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.08 -57.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -139.79 -170.46 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 p -144.79 -179.5 6.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 p -179.29 119.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.03 -52.79 6.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.38 -24.65 45.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -56.38 -37.61 70.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -63.96 -54.01 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.18 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.11 -35.93 48.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.67 -33.52 75.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.63 68.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -66.2 -37.96 86.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.92 -54.84 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.55 -32.43 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.69 77.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.35 -38.49 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.12 59.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.05 -30.56 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -52.53 41.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.1 t -64.32 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -48.82 75.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.3 m -58.12 -51.79 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.34 -35.65 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.17 -40.9 78.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.15 -32.62 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.96 -36.14 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.01 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -69.79 -36.6 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 -32.96 73.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.03 -39.32 34.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.39 -31.25 67.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.21 -62.22 3.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -52.13 -39.29 59.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.03 -63.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -103.76 -72.87 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.14 20.11 8.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -69.17 172.11 7.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 -179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -96.4 -178.34 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.09 93.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.1 36.68 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.66 -26.47 21.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 61.93 -173.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.82 -33.34 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.95 -47.14 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.49 -56.66 13.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.82 37.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.6 -179.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.3 t -73.65 170.65 14.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -55.36 -31.25 61.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.4 m 58.02 91.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.27 -149.53 9.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.827 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 11.9 mtp -138.87 50.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 92.3 p -112.7 -11.83 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -89.71 11.31 20.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.31 -171.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 6.7 ptm -64.07 109.8 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -154.63 50.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -90.09 -26.95 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -115.05 160.49 33.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -23.13 31.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.377 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.88 50.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -27.48 31.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.64 136.77 54.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 110.12 -105.91 2.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 4.7 t60 61.79 91.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -171.51 -178.84 2.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -152.29 58.23 0.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.433 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -154.12 -60.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -28.97 69.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.54 82.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.01 93.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -53.29 -50.39 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -68.18 -33.99 75.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.12 -25.09 45.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 93.7 m -69.75 -30.0 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.46 -39.97 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.53 -37.18 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 12.4 t -76.2 -53.19 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.12 -52.29 59.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.89 -46.75 54.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -58.18 -36.89 73.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.072 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.49 -36.05 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.53 -45.23 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.31 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 80.1 t -77.43 -31.2 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.16 -52.83 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -61.54 -29.7 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.73 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.61 -25.17 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.0 mt -100.7 27.57 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.69 -39.7 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.5 m -66.24 -26.62 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.22 57.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -52.61 145.74 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -91.38 -64.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 90.93 19.68 42.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.17 26.18 3.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 58.1 p -119.4 -30.93 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.85 -71.44 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.405 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.2 mt -99.8 144.12 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.04 172.9 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.57 -38.39 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -73.47 -41.16 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.63 -48.53 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -54.42 -47.13 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -54.83 -26.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.78 -44.72 9.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -57.95 -51.51 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -52.01 -59.11 4.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -57.32 -51.96 67.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.9 -31.29 39.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.41 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 1.4 mmt -53.71 -30.26 42.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.33 -56.28 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -76.17 -32.89 59.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -34.24 77.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 5.9 t -70.3 -52.59 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -68.12 -30.33 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -35.23 66.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -85.55 -53.14 5.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -52.07 -44.99 64.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -63.48 -46.89 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -57.17 -35.91 70.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 66.9 m -80.77 -29.86 36.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 3.7 m -61.64 -52.6 63.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -9.63 58.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -53.28 -54.49 35.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -82.62 -25.11 33.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -72.98 -16.53 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -50.5 -50.02 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.45 -32.8 62.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 25.4 ttp -51.31 -49.85 60.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.45 69.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.3 ttm 63.33 169.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.79 -34.24 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.03 70.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -49.48 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.99 93.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 13.3 p -123.78 -67.45 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -59.23 -24.84 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.73 -60.82 2.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.92 -24.82 67.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -87.33 -24.78 24.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.03 132.23 32.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -99.15 87.54 3.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 174.83 -35.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.957 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.755 0.312 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.57 150.58 45.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.03 173.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 132.3 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 53.42 33.16 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.1 -41.14 5.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -59.78 -27.56 66.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -74.2 152.54 88.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.63 0.728 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 83.2 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -111.83 146.1 38.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp 63.27 21.26 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.88 132.88 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.33 44.62 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -58.01 -31.54 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -37.63 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 p -102.95 97.2 7.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.26 -25.43 61.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -52.86 -51.75 59.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.07 86.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -35.67 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -36.68 57.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.24 81.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.41 60.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -26.13 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.5 tpp -63.15 -58.45 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -55.66 -26.08 42.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -70.07 -32.25 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -70.06 -41.74 73.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mp -73.02 -46.52 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -46.09 84.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -72.91 -41.84 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.85 69.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -72.09 -46.92 54.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -52.23 -33.83 43.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.03 -48.04 67.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.84 -28.79 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.8 mtt -82.32 -45.74 14.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 m -52.13 -52.7 49.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.24 -26.87 68.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.084 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -85.16 -6.91 59.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.92 -22.5 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -51.76 -30.4 22.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -167.01 78.08 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -73.01 129.63 38.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 147.22 -23.35 1.57 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -125.74 139.78 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.13 119.75 18.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.765 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.2 m -63.0 138.34 58.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.37 -40.29 67.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.44 87.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -56.24 -34.29 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.73 -53.98 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -35.66 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.04 -33.26 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -70.95 -33.41 70.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.18 -31.13 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.98 -43.67 98.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.22 -54.53 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -61.36 -32.42 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.66 -33.04 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -39.19 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.66 -31.27 24.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.96 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -52.62 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.9 t -54.28 -36.76 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.69 -44.66 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.0 m -60.09 -38.33 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.4 -28.4 56.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt -63.49 -37.55 87.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.88 -37.28 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.8 t -70.31 -34.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.56 -50.08 70.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -71.63 -34.03 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.27 74.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.3 -40.41 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.66 -32.89 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.76 -64.04 3.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -52.02 -35.21 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.98 -54.15 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.81 -75.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.77 41.58 0.31 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -154.91 171.72 19.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.338 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -153.92 160.4 42.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.2 p -131.18 80.63 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.52 59.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.32 -29.54 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 t70 62.72 166.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.15 -179.3 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.18 69.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.75 88.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -55.58 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.86 104.57 14.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.43 153.52 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -118.81 158.04 26.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.7 141.63 47.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -91.35 -142.05 10.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 119.355 -0.355 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.897 0.379 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.97 72.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 91.6 p -116.0 -24.43 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -89.9 10.84 22.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.55 -69.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 10.9 ptm -161.83 49.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.94 65.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.24 -62.92 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -120.22 93.71 48.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.722 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 82.02 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -77.51 -47.82 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -47.53 18.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.22 106.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 142.53 -129.76 3.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.512 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.26 -75.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 69.01 -77.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 101.31 -111.29 4.08 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -27.24 63.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.61 -40.19 95.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.26 -31.05 41.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.77 -43.5 94.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.1 -45.99 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -65.65 -54.65 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.58 -25.03 33.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 78.2 m -62.1 -33.61 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.23 -48.56 75.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -61.74 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -48.23 82.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.78 -51.57 54.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.21 -31.67 34.65 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.62 69.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.78 -37.98 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 51.0 mt -73.53 -33.86 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -65.12 -53.65 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.6 -40.39 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.24 -37.06 85.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.512 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.78 -31.89 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.92 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.2 -24.66 59.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.17 -24.63 34.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 15.4 mt -106.67 39.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . 0.512 ' NE2' HE21 ' B' ' 637' ' ' GLN . 24.7 mm-40 -66.75 -44.95 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.8 m -55.43 -26.27 40.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.34 -33.37 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -52.92 139.12 28.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -87.66 -58.85 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.19 -22.03 36.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -98.74 26.51 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 15.2 p -112.68 -30.31 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 168.08 -80.28 0.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.2 mt -85.4 143.72 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.7 174.32 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.43 -38.75 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.69 -44.58 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -59.77 -48.43 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.27 -55.24 36.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -57.17 -54.02 51.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.11 -52.75 63.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -51.86 -56.23 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -50.98 -57.6 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.36 -26.87 61.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -71.28 -54.51 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 60.7 mmm -58.88 -44.2 91.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -68.03 -32.14 72.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -66.25 -53.91 31.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -34.24 76.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.31 -47.22 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -70.37 -31.55 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.69 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -78.45 -55.18 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -51.99 -30.09 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.12 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 40.6 mtp -53.23 -35.89 60.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.61 -36.22 26.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 27.7 t -60.34 -50.03 75.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 1.1 m -75.86 -11.52 59.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -52.78 -28.91 24.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.2 -23.87 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -52.0 -29.16 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.65 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -25.25 59.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -38.6 88.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.78 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.1 ttt -52.0 155.76 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.1 mmt -72.12 -28.72 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.62 -43.07 65.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.74 -34.42 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -122.8 79.4 1.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 13.9 t -104.19 -31.86 9.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.202 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.25 -23.39 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.64 -60.85 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.68 67.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.35 -25.26 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -53.92 -42.01 68.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -56.69 -45.86 81.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 104.72 -70.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.921 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.87 130.23 49.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt 55.67 91.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.04 128.0 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 t0 60.7 66.52 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.84 -60.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -139.25 29.89 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.0 pt -57.37 152.53 32.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -164.66 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 178.98 111.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 mp 57.69 23.19 9.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.0 t -81.65 -40.36 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.15 41.18 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -65.14 -37.53 87.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -64.29 -26.66 68.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 t -172.55 104.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.1 -27.41 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.21 -48.59 72.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.76 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.63 -31.76 69.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -49.67 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.09 -42.23 69.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -25.66 72.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.85 55.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.1 tpp -64.39 -57.53 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -55.72 -25.86 42.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -50.21 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.99 -48.31 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -47.13 65.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -72.96 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -27.87 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -72.31 -33.38 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -63.43 -33.89 76.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.44 -38.55 74.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.91 -29.06 69.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.0 mmt -64.97 -32.06 73.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 p -57.92 -35.43 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.52 -31.06 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -85.19 -7.03 59.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.63 -21.77 54.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -51.75 -30.67 23.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -132.77 -48.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 59.95 67.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.32 -51.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -129.03 168.53 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.2 159.67 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.4 -176.0 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.1 -57.42 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.34 -47.17 72.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -62.82 -34.3 77.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.34 -54.09 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.41 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -64.4 -36.36 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.61 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.61 -35.5 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -69.03 -54.83 13.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.73 -32.38 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.03 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.85 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.41 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.13 79.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -61.85 -40.88 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 t -71.42 -46.01 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -50.86 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -54.88 -51.94 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.5 mt -51.92 -43.39 63.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.99 -34.13 71.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -32.15 61.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.0 t -75.49 -51.13 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.62 -50.77 59.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -57.99 -33.45 68.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.48 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -71.58 -14.99 62.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -24.89 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.16 -88.22 0.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.571 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -52.08 -31.15 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.8 -31.82 28.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.89 -64.7 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.34 -30.79 2.09 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.43 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.1 m -130.09 132.37 46.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.713 0.292 . . . . 0.0 111.09 -179.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -68.67 163.7 23.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.0 t -136.09 78.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.81 41.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.34 -43.14 83.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -114.33 177.5 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.32 -172.24 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.49 -47.49 55.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.1 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.7 -53.81 14.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.5 p -54.34 108.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 160.95 18.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 60.75 176.91 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m 59.93 98.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.189 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.01 -89.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.812 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -106.23 72.54 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 3.2 p -115.94 -24.45 8.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -89.8 10.85 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.1 mm -78.65 -69.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 19.2 ptp -161.17 48.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -122.66 -36.28 2.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.34 -75.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -125.69 160.47 55.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.687 0.756 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.89 36.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -73.46 -41.84 62.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -32.63 68.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.32 133.3 45.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 111.8 136.82 7.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -168.24 79.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -175.53 -176.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -142.98 -145.46 4.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 72.27 -69.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.809 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -29.21 70.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.52 -31.01 33.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.57 -50.14 54.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -57.18 13.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.947 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.92 -43.27 66.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.2 -26.71 29.47 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 60.9 m -59.57 -48.49 81.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.74 -43.32 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -47.49 66.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.1 m -76.02 -30.97 58.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -51.43 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.16 94.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.26 -42.18 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.93 -38.97 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 65.2 mt -73.27 -45.02 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.11 75.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.78 -31.27 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.97 -52.73 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -68.38 -30.88 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -55.23 -27.53 46.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.29 41.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.05 23.5 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -55.08 -40.01 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.7 m -70.25 -19.09 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.85 -13.33 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -51.49 151.02 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -105.72 -33.98 7.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.02 27.94 23.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.19 16.93 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 19.5 p -121.04 -31.28 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 164.37 -84.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.52 139.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 111.024 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 160.71 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -51.21 -45.01 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -75.19 -41.95 56.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -57.03 -50.19 73.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -54.2 -40.79 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -59.69 -55.96 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.36 -22.56 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.1 -52.68 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -55.68 -52.2 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.59 -58.52 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -51.67 -45.34 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.56 -54.43 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 36.3 tpp -51.57 -37.33 49.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.63 -56.04 27.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.91 -28.2 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -38.33 88.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 85.8 t -65.87 -51.32 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -65.55 -39.1 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.18 -25.24 46.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -85.06 -54.96 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.94 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.8 ttp -52.28 -50.79 61.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 2.0 t -82.78 -26.63 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 1.6 t -57.53 -31.8 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.17 -8.14 49.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -56.54 -25.61 52.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -70.55 -21.34 62.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -52.29 -28.78 20.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -51.61 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.3 p -74.04 -27.14 60.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -32.99 68.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -61.69 -68.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.73 167.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.68 -46.28 7.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -54.41 -33.95 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -27.73 41.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -93.6 67.49 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 11.8 t -117.78 -32.07 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.3 -23.75 20.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.02 -60.75 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -61.84 -24.63 67.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -83.83 -25.13 30.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 176.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -116.03 125.98 53.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -96.51 -56.86 1.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.918 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m 57.98 48.07 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.22 119.0 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.76 -174.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 55.1 69.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.72 -60.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.27 38.67 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 pt -81.57 152.42 69.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.612 0.72 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.628 2.219 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.26 117.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp 57.53 24.05 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.4 t -87.69 140.06 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.33 33.09 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -83.05 -30.72 27.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -53.12 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 104.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.07 -25.58 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -64.05 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.95 83.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.97 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -39.55 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.12 -46.04 72.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.87 72.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.37 -31.23 62.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -58.72 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.61 -29.22 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -67.21 -39.79 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.17 -48.33 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -67.18 -46.1 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.04 -45.63 93.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -73.1 -49.54 27.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.27 -27.74 66.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -48.2 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.57 -33.8 68.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.18 -39.11 66.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.9 81.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.5 mmt -54.84 -59.4 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -52.82 -48.22 67.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.98 -23.88 63.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -80.02 -6.94 58.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.49 -18.9 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.69 -31.15 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.34 114.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -114.61 116.68 29.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.8 -116.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -132.52 65.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 m -158.35 50.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -134.25 71.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.01 -57.59 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.19 -32.77 74.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -73.35 -34.77 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.71 -54.08 18.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.88 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.86 88.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -68.64 -40.31 80.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -66.37 -35.06 79.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -69.39 -54.86 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.96 -32.23 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.36 86.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.83 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.52 -31.54 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.33 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -53.09 45.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 t -56.88 -43.67 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -45.72 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.0 m -62.77 -52.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.08 -34.06 76.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.32 -40.13 95.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.41 -41.74 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.1 t -54.23 -44.53 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.12 -52.38 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.68 -41.67 91.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -27.07 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.64 -48.54 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.3 mp -71.09 -32.66 69.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.37 -58.25 4.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -35.03 42.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -54.69 43.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.89 -75.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.57 -171.23 39.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.5 t -105.32 168.79 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.118 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -161.91 164.84 28.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.59 85.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.28 77.43 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.9 -42.29 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.73 -171.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.44 177.85 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.47 -37.09 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -51.73 -30.03 20.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.32 87.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -86.17 105.27 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.5 p -110.27 -24.26 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -101.28 151.19 22.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.27 131.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.077 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.3 137.92 2.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.853 -179.921 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 11.8 mtp -99.5 22.04 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 98.9 p -91.3 -9.08 46.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.797 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -89.76 11.06 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -109.57 -171.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 2.8 ptm -64.53 93.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -136.56 102.3 4.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -72.71 -73.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -117.37 160.6 37.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.587 0.708 . . . . 0.0 110.983 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -15.79 37.55 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.69 -30.56 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 9.0 ptm -85.28 -30.14 24.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.36 148.31 45.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -55.46 162.27 5.24 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -107.63 -70.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -167.96 -70.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 58.05 -156.2 19.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.04 40.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 2.8 mtt -70.62 -27.58 64.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.54 -31.61 36.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -59.26 -40.73 96.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -62.01 -38.14 87.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.13 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.44 -34.78 42.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 28.4 m -55.97 -44.69 78.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 111.15 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.29 -47.06 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -53.55 -36.86 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 49.0 m -76.21 -52.96 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.21 -48.63 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.51 -45.96 53.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.46 -33.58 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.77 -42.13 75.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.35 -33.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.05 76.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.3 p -77.69 -30.95 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -52.85 62.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -59.66 -29.42 68.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.51 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.63 -20.63 39.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 18.9 mt -106.03 28.66 7.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -56.89 -25.6 57.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.34 20.22 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -119.71 -31.38 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -51.95 143.94 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -93.89 -55.78 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.67 -19.96 47.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.26 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.4 p -117.71 -29.92 5.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 165.88 -96.35 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.66 142.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 111.138 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.75 164.71 14.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -59.63 -41.18 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.37 -42.88 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.29 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -66.36 -51.35 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.31 -29.72 24.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.83 -23.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -76.31 -52.87 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -55.97 -46.63 78.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -60.99 -57.97 10.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -54.28 -38.86 66.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -67.47 -54.51 19.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -39.82 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.84 -55.83 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -70.2 -28.57 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -39.08 93.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.59 -51.26 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -57.73 -32.14 67.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.35 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -73.81 -32.31 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -69.27 -22.42 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 51.6 ttp -64.66 -42.67 95.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.81 0.57 43.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.774 -179.757 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 7.8 t -58.17 -23.66 56.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 1.2 m -75.79 -5.56 46.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -54.0 -27.27 30.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -55.53 -25.78 39.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.6 -30.0 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.063 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.35 -49.36 71.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 86.9 m -74.06 -24.0 59.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 1.7 ttm -51.87 -30.23 23.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.28 -27.57 36.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.067 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 56.29 28.21 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.13 -49.04 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.13 82.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -29.17 69.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -76.38 72.17 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 10.0 t -120.85 -34.01 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.27 -23.19 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.75 -60.83 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.4 -24.6 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.41 -25.23 29.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -58.67 6.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 54.82 88.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 69.94 147.34 0.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.504 -179.851 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.822 0.344 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -141.68 110.62 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.2 26.09 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.14 145.6 25.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 58.45 56.39 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -112.75 -45.53 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -123.64 49.92 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -100.53 152.46 37.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 83.72 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -88.78 -35.67 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.988 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.63 69.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 m -114.15 -25.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.43 49.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -31.58 71.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -54.94 -55.96 24.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 p -178.61 100.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.55 -34.6 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.029 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -77.81 -46.88 20.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.43 -38.92 56.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.11 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -47.03 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.03 -47.18 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.79 -26.91 26.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -30.01 30.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -58.92 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -23.86 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -72.86 -49.49 29.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.9 m -55.41 -51.79 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -65.38 -47.42 87.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.91 -46.1 91.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -73.0 -53.11 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.94 -27.72 53.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.03 -45.15 67.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.66 -47.94 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.83 -36.02 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.51 -25.81 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.3 mtt -78.72 -59.46 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -55.74 -34.02 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.39 -38.21 60.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.68 -9.59 59.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.85 -57.12 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 49.26 51.31 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 65.21 45.6 2.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.837 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -142.09 -68.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.45 -51.44 4.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 -179.43 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 t 62.39 100.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.29 99.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.778 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.08 -50.01 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.18 -35.76 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -62.2 -34.32 76.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -70.79 -54.03 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -39.75 57.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -66.46 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.54 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -67.43 -35.57 79.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -69.45 -54.89 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.53 -35.01 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.94 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.16 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.21 -31.62 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.07 86.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tmtp? -54.47 -52.59 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.0 t -63.14 -52.69 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -31.89 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.3 m -84.71 -27.68 26.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.4 mt -73.73 -36.9 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -55.36 -55.08 35.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.99 -43.32 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.84 -32.97 60.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.28 -50.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -71.93 -39.5 69.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.65 63.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.66 -39.63 94.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.3 mt -70.88 -25.93 63.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.37 -74.57 1.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -45.18 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.07 -31.99 32.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.68 -170.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.63 -106.96 2.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -161.5 173.69 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.316 . . . . 0.0 111.189 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -145.59 163.7 33.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.6 t -136.27 78.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.85 41.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.59 -29.48 62.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -179.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.91 179.25 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.151 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.3 -34.45 59.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.57 -27.87 28.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.73 -58.84 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.1 t -84.12 119.18 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.09 172.73 13.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -156.19 -172.81 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.18 165.7 25.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.29 -150.63 6.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.852 -179.866 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.28 71.41 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 16.4 p -115.97 -24.25 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -89.71 10.84 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -79.19 -69.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 1.4 ptp -161.71 49.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -122.73 108.92 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.47 -71.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -130.11 160.56 64.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.697 0.76 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -22.69 31.74 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.2 66.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -33.86 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.18 178.03 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -54.54 176.08 0.45 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.18 145.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -177.32 174.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -110.06 -141.63 9.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.24 -75.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -26.85 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.11 -31.86 44.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.56 -49.75 59.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.5 -47.52 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.383 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.48 -33.23 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.025 179.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.21 73.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 98.4 m -66.78 -29.08 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.91 -56.91 15.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.12 -41.56 81.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 36.0 m -59.47 -46.39 88.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.29 -43.7 55.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -45.14 55.9 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -54.39 -37.93 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.011 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -55.77 -35.84 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 87.7 mt -73.45 -36.19 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -64.33 -53.29 51.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.21 -40.4 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.19 -36.81 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 637' ' ' GLN . . . . . 0.624 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.63 -31.08 63.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.49 61.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.53 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 34.01 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 641' ' ' GLN . . . . . 0.624 ' NE2' HE21 ' B' ' 637' ' ' GLN . 8.1 mm-40 -65.25 -45.34 84.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.3 p -55.7 -25.99 42.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.21 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -52.34 149.93 5.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -98.91 -63.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.24 -19.47 54.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -86.66 -26.27 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.6 p -67.98 -30.59 69.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.02 -114.89 0.55 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 54.9 mt -53.77 142.86 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.4 167.48 11.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -61.45 -41.12 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.58 -42.82 58.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.79 96.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.5 t90 -62.69 -41.43 99.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.88 -55.84 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.14 -39.6 75.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -56.05 -52.84 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -60.9 -47.82 84.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -57.72 -51.17 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.53 25.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 663' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -42.24 78.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.15 -56.05 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -29.82 66.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -42.1 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.37 -51.21 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.89 -35.07 77.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.13 -25.18 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -85.52 -57.8 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -58.83 -23.68 60.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.18 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.2 ttp -52.46 -34.83 50.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 15.7 m -82.65 -26.51 32.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -49.92 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -6.51 49.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.193 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -51.55 -49.33 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -81.64 -17.14 49.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.5 -22.07 41.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -57.34 -70.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.88 -34.61 63.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.7 ttp -52.04 -29.95 23.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.86 -26.3 34.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 22.5 mtp -51.93 151.57 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 4.2 mtm -69.22 -29.37 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.98 20.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -67.47 -54.82 16.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 41.7 40.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 43.3 p -71.55 -49.71 38.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -66.25 -27.9 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.14 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -57.94 -24.6 58.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.91 -25.07 26.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 126.88 28.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -117.6 129.58 55.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 106.12 -158.99 15.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.667 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 11.3 t80 -52.01 -51.75 55.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.78 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.86 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -45.74 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -45.47 72.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.08 -26.68 73.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.445 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -25.43 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.943 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.52 ' HE2' HD12 ' B' ' 629' ' ' LEU . 42.5 tpp -65.75 -57.55 7.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -27.0 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.74 -38.51 91.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -65.06 -41.92 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.7 mp -73.13 -48.56 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -46.76 66.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.7 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.75 -54.06 49.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -47.98 63.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.54 87.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -68.86 -38.86 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.88 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.6 -39.29 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.13 -54.82 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.89 -33.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.21 -34.79 42.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.84 -34.61 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.53 -31.42 66.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 5.2 tmtp? -74.6 -40.53 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.867 HG21 HD22 ' B' ' 666' ' ' LEU . 18.9 t -71.46 -44.08 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -64.73 -49.5 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -60.29 -33.34 72.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.427 ' HA ' HG22 ' A' ' 71' ' ' VAL . 39.7 mt -76.22 -26.6 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.725 HD21 HD13 ' B' ' 633' ' ' ILE . 13.7 mt -72.97 -30.16 63.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -77.03 -47.76 19.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.837 HG21 HD12 ' B' ' 650' ' ' ILE . 32.1 m -62.54 -34.46 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 68.0 mt-30 -71.72 -34.06 69.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.0 -35.56 72.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -81.15 -39.21 25.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.644 HD13 HD12 ' B' ' 640' ' ' LEU . 59.4 mt -75.88 -29.6 58.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.95 -75.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -51.96 -30.72 25.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.667 ' HB1' ' CD2' ' A' ' 18' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.85 67.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.712 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -67.01 -54.79 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.57 -24.42 39.2 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 96.9 m -60.13 -34.6 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.25 -45.23 85.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -52.76 59.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 4.9 t -63.12 -34.12 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.52 HD12 ' HE2' ' A' ' 25' ' ' MET . 0.1 OUTLIER -63.56 -47.35 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.43 91.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.29 -32.05 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.55 -40.43 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.725 HD13 HD21 ' A' ' 69' ' ' LEU . 68.3 mt -73.36 -32.6 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.074 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.78 -39.62 80.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 13.3 p -77.46 -31.05 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.44 -52.9 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -60.21 -29.66 68.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.23 -24.68 67.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.62 37.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.644 HD12 HD13 ' A' ' 76' ' ' LEU . 7.7 mt -109.0 29.48 7.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.53 -45.75 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 25.0 p -55.37 -26.45 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.95 -27.28 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -54.77 146.33 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -93.46 -69.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.29 -19.98 46.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.68 26.27 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.2 p -118.8 -29.43 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.29 -91.98 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.837 HD12 HG21 ' A' ' 71' ' ' VAL . 58.1 mt -81.4 143.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.39 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.46 172.98 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -64.38 -39.26 93.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -73.94 -42.6 60.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 654' ' ' ALA . . . . . 0.672 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -67.57 -41.79 83.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -59.39 -56.03 27.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.71 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.672 HE21 ' HB1' ' B' ' 654' ' ' ALA . 60.0 mt-30 -56.14 -50.01 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -51.97 -59.28 4.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -52.95 -47.45 68.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -62.23 -27.41 68.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 662' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.98 -54.44 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.735 ' O ' HG23 ' B' ' 667' ' ' VAL . 80.7 mmm -57.14 -39.54 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.07 -56.09 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -70.71 -28.37 64.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.867 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 663' ' ' MET . 42.1 t -73.47 -51.24 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -52.36 -33.22 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.14 -28.55 58.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.712 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 41.7 t80 -85.7 -36.38 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -72.28 -19.07 61.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -48.22 67.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.044 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.359 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.6 -48.82 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.78 67.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -40.12 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -59.28 -50.5 73.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.96 -25.73 75.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -32.96 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.3 tpp -55.58 -58.69 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -30.29 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -75.64 -29.12 59.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 m -74.09 -33.03 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.634 HD12 ' HE1' ' A' ' 58' ' ' PHE . 39.4 mm -61.0 -55.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.85 -39.07 96.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -58.53 -36.84 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 -45.84 58.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.5 t80 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.15 -54.06 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -45.72 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.73 -38.65 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -63.68 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.25 -31.01 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -63.6 -41.74 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.634 ' HE1' HD12 ' A' ' 29' ' ' ILE . 3.6 t80 -62.81 -54.7 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.45 -32.72 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -35.65 81.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.8 40.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.16 48.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.5 -30.77 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -71.41 -48.23 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.964 HG21 HD11 ' B' ' 666' ' ' LEU . 16.7 t -64.67 -33.64 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -46.33 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -65.75 -31.71 72.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' B' ' 658' ' ' GLN . 21.2 mt -74.11 -26.41 60.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 22' ' ' ALA . 19.1 mt -70.74 -30.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.6 -53.05 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.033 HG21 HD12 ' B' ' 650' ' ' ILE . 27.3 m -62.2 -32.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.21 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.659 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 46.6 mt-30 -71.7 -33.92 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.65 -34.76 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -81.09 -39.0 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.618 HD13 HD12 ' B' ' 640' ' ' LEU . 69.4 mt -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.87 -69.18 2.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.94 -37.12 51.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.879 0.371 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.03 -32.11 41.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -55.89 -56.32 22.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' B' ' 670' ' ' TYR . . . -53.69 -35.74 61.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.88 -25.81 31.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.3 m -64.67 -40.83 96.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.415 HD11 HD13 ' A' ' 29' ' ' ILE . 3.6 mm? -66.19 -38.14 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.59 -46.6 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.0 m -76.14 -41.91 48.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -52.83 60.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.67 -35.27 85.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.449 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.91 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.94 -39.06 84.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 5.9 mt -73.72 -35.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.48 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.34 -33.89 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -64.79 -37.38 87.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 637' ' ' GLN . . . . . 0.403 ' NE2' ' CE3' ' B' ' 655' ' ' TRP . 1.2 tm0? -66.6 -42.21 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.41 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -76.07 -24.6 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 76' ' ' LEU . 10.0 mt -114.28 38.96 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.46 -52.85 59.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.0 p -55.6 -26.08 41.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -52.52 143.9 14.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -90.22 -68.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.51 -26.17 24.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -96.56 26.16 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 47.0 p -119.58 -30.93 4.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.19 -110.02 0.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 1.033 HD12 HG21 ' A' ' 71' ' ' VAL . 57.5 mt -63.7 143.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 111.191 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.17 171.24 8.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.22 -38.81 92.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -73.63 -42.65 61.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.41 -48.27 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 655' ' ' TRP . . . . . 0.403 ' CE3' ' NE2' ' B' ' 637' ' ' GLN . 58.0 t90 -54.3 -49.11 70.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -51.64 -44.67 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.96 65.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.524 ' HB3' HD21 ' A' ' 68' ' ' LEU . 42.5 mt-30 -56.77 -51.73 67.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.437 ' HA ' HD13 ' A' ' 68' ' ' LEU . 51.0 t-105 -58.47 -54.96 41.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -51.62 -52.5 47.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.8 -47.39 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.828 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -51.28 -52.49 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -57.97 -33.27 68.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -70.81 -34.87 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.964 HD11 HG21 ' A' ' 65' ' ' VAL . 5.7 mt -71.19 -55.5 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.43 HG23 ' N ' ' B' ' 668' ' ' ARG . 15.4 m -52.92 -44.57 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 668' ' ' ARG . . . . . 0.43 ' N ' HG23 ' B' ' 667' ' ' VAL . 6.6 ptt180 -71.08 -32.3 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.98 68.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' B' ' 623' ' ' ALA . 39.2 t80 -85.56 -44.73 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -68.01 -25.64 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.62 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 9.9 tmm? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.806 0.336 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -61.04 -50.62 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.11 -38.41 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.78 -39.36 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.77 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -56.5 -50.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.22 -27.53 73.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -33.3 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ttm -60.99 -58.6 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -52.02 -36.61 50.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.23 -45.36 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -64.17 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.465 HG23 ' CE1' ' A' ' 58' ' ' PHE . 50.9 mm -67.15 -48.84 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.82 -32.09 81.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -39.78 66.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.29 -40.18 45.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.922 0.392 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -56.68 -54.17 49.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.35 -40.91 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.59 -29.65 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -74.84 -33.39 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -63.23 -43.6 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.465 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.4 t80 -61.34 -54.55 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.13 -32.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.51 75.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -36.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -53.08 -31.53 42.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.42 70.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.1 tmtp? -74.53 -52.62 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.7 p -66.67 -31.51 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -70.75 -53.64 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.3 m -56.0 -40.33 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.441 HD11 ' HD2' ' A' ' 64' ' ' LYS . 34.2 mt -64.03 -35.55 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 22' ' ' ALA . 2.9 mt -61.84 -46.26 90.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -65.91 -38.87 89.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 67' ' ' THR . 59.0 t -66.27 -33.02 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.485 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 36.8 mt-30 -71.51 -34.31 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.2 -33.37 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.17 -38.35 56.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.17 -32.87 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.06 -55.5 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.03 -50.71 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.782 0.325 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.06 90.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -37.46 83.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.43 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.99 -36.22 66.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.5 m -55.8 -44.85 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.88 -40.02 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -52.61 -51.17 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 31.3 t -76.06 -30.45 58.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -52.65 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.06 -37.64 94.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.702 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.38 -36.44 61.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.09 -34.83 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.23 -38.61 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 631' ' ' ALA . 87.2 t -75.21 -31.58 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.87 -52.07 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -60.67 -29.73 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.26 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.77 -25.41 44.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.35 27.11 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -53.13 -43.21 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.1 p -62.09 -26.52 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.31 -32.56 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.66 135.52 34.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.48 -69.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.99 -20.1 46.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -96.01 26.06 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 12.1 p -119.63 -30.94 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.43 -98.38 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.33 143.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.47 176.28 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -67.14 -38.49 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -73.52 -40.23 64.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.01 65.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -59.69 -42.23 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -58.65 -55.95 28.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.2 -52.52 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.403 ' HA ' HD13 ' A' ' 68' ' ' LEU . 65.7 t-105 -52.01 -52.87 47.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -51.87 -51.84 53.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -54.2 -46.15 72.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -57.02 -54.17 49.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.81 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -52.69 -54.49 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -33.11 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -71.0 -47.67 57.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' B' ' 663' ' ' MET . 4.4 mt -58.46 -42.56 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 663' ' ' MET . 21.5 t -62.12 -44.42 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -70.31 -34.53 72.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.83 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -72.59 -57.63 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.98 -18.25 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.12 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.43 ' HB3' ' HB1' ' A' ' 79' ' ' ALA . 9.8 t80 -64.62 -51.71 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -38.47 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 -44.02 51.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.487 ' CB ' HD22 ' A' ' 69' ' ' LEU . . . -58.64 -45.03 90.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.37 70.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.476 HD23 HD22 ' B' ' 629' ' ' LEU . 0.9 OUTLIER -78.08 -25.89 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.844 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.413 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -59.86 -58.69 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.96 -26.1 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -70.12 -31.48 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.415 ' CG2' HD23 ' B' ' 626' ' ' LEU . 4.0 m -68.41 -42.79 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.497 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.09 -49.52 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.76 65.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -72.93 -34.03 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.37 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.742 0.306 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.45 -54.01 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.41 -49.71 61.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.07 87.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.02 65.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -64.15 -40.52 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -64.04 -54.71 29.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.5 -33.01 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.27 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.57 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.8 -35.66 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.49 -35.65 68.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -74.5 -47.99 29.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.77 HG21 HD22 ' B' ' 666' ' ' LEU . 23.3 t -56.79 -37.21 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.94 -43.83 64.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.2 m -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' B' ' 659' ' ' TRP . 6.3 mt -76.27 -26.43 55.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD22 ' CB ' ' A' ' 22' ' ' ALA . 6.7 mt -72.18 -29.88 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.2 -49.02 14.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.84 HG21 HD12 ' B' ' 650' ' ' ILE . 34.6 m -61.53 -32.94 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.1 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.7 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 49.4 mt-30 -71.35 -33.9 70.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.24 71.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.14 -37.82 28.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.661 HD13 HD12 ' B' ' 640' ' ' LEU . 51.4 mt -76.6 -29.4 56.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.48 1.23 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -35.2 45.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.7 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.811 0.338 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.44 -33.73 47.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -41.05 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.575 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.8 -33.15 34.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.05 -24.54 35.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 62.6 m -56.18 -39.18 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.789 HD13 HD11 ' B' ' 666' ' ' LEU . 26.4 mt -60.8 -36.53 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 627' ' ' GLN . . . . . 0.422 ' CG ' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -67.05 -52.53 41.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -53.02 55.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.486 ' O ' HD12 ' B' ' 629' ' ' LEU . 10.2 tp -60.63 -37.85 82.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.17 57.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.3 -34.13 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.75 -42.28 75.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.44 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 72.4 mt -73.32 -32.52 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.45 -53.09 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.2 -31.21 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -44.76 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 637' ' ' GLN . . . . . 0.412 HE21 ' N ' ' B' ' 638' ' ' ALA . 0.0 OUTLIER -60.78 -39.43 88.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 638' ' ' ALA . . . . . 0.412 ' N ' HE21 ' B' ' 637' ' ' GLN . . . -68.08 -24.56 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.065 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.63 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.661 HD12 HD13 ' A' ' 76' ' ' LEU . 9.1 mt -117.78 34.92 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -54.16 -52.75 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -26.01 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 643' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' B' ' 640' ' ' LEU . . . -71.02 -29.18 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -62.73 140.11 58.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -91.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 109.91 -19.7 27.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.89 26.09 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 17.6 p -119.8 -31.03 4.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 166.4 -115.12 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 71' ' ' VAL . 58.0 mt -54.12 143.15 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 171.45 8.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.09 -39.44 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -73.91 -41.41 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 654' ' ' ALA . . . . . 0.526 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.03 -44.3 76.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -59.99 -38.36 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.43 -55.97 27.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.15 -42.69 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.526 HE21 ' HB1' ' B' ' 654' ' ' ALA . 24.9 mt-30 -56.07 -49.41 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.615 ' HA ' HD13 ' A' ' 68' ' ' LEU . 73.9 t-105 -59.49 -59.4 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -51.75 -49.71 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.22 -34.51 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.69 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.748 ' O ' HG23 ' B' ' 667' ' ' VAL . 83.9 mmm -56.88 -43.45 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.15 -55.96 17.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.81 -28.34 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.789 HD11 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -66.41 -37.48 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 663' ' ' MET . 40.5 t -71.72 -51.15 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -52.75 -34.16 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.29 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.575 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 20.0 t80 -85.69 -51.97 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -55.53 -25.99 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.03 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 6.0 tmm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.782 0.325 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -69.37 -51.78 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.66 69.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.37 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.7 -36.68 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.08 -48.35 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.16 -38.29 63.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -26.07 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.456 ' CE ' HD12 ' B' ' 629' ' ' LEU . 10.0 ttm -66.96 -58.79 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -28.86 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.62 -33.56 76.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -68.89 -40.18 79.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.16 -50.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.58 -45.92 66.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.43 71.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.2 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.71 -54.01 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -51.75 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.64 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -63.96 -36.3 83.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.78 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -66.78 -34.94 78.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.58 -54.8 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.66 -34.14 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.67 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.84 40.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.446 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -52.79 -31.44 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.06 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -74.47 -52.67 11.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.6 p -63.65 -31.56 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.98 -53.46 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.1 m -55.82 -46.4 78.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.508 HD11 ' HD2' ' A' ' 64' ' ' LYS . 41.3 mt -58.47 -35.4 72.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.82 -45.84 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.98 -36.54 83.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 67' ' ' THR . 30.9 t -70.11 -33.08 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.06 76.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.528 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 38.0 mt-30 -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -34.51 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -77.48 -40.73 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.423 HD13 HD12 ' B' ' 640' ' ' LEU . 89.2 mt -73.81 -32.16 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.62 -65.38 3.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.05 -38.06 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.855 0.36 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.46 -34.07 54.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.651 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.82 -33.92 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.84 -24.37 41.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 13.1 m -67.39 -52.51 39.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 19.5 mt -56.8 -36.55 70.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -51.99 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -30.49 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.456 HD12 ' CE ' ' A' ' 25' ' ' MET . 0.1 OUTLIER -58.39 -50.95 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.11 94.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.624 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -57.2 -38.22 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.84 -40.28 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 78.9 mt -73.16 -47.14 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.19 -32.87 62.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 631' ' ' ALA . 75.6 t -77.34 -31.21 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -52.81 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -56.46 -29.69 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.15 -27.02 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.423 HD12 HD13 ' A' ' 76' ' ' LEU . 8.6 mt -100.0 25.94 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -51.91 -46.0 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 96.5 p -55.42 -26.57 42.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.26 -36.19 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -52.86 147.79 8.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -96.9 -70.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.66 -26.31 21.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -98.41 28.15 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 3.2 p -117.19 -25.26 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.94 -78.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.01 143.25 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.119 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.27 174.4 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.61 -38.27 88.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.48 -41.17 63.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.2 55.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -54.4 -53.86 48.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -53.26 -28.6 28.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -55.17 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.16 -50.85 70.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.99 -51.46 57.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -52.01 -50.18 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -59.34 -41.39 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.88 -54.11 43.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.831 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.3 OUTLIER -54.12 -55.43 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -52.74 -34.63 53.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.41 -41.41 73.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' B' ' 663' ' ' MET . 6.5 mt -63.2 -45.93 89.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 663' ' ' MET . 27.0 t -55.05 -51.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -70.33 -32.28 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.23 65.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.651 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 36.3 t80 -68.35 -44.75 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -60.83 -22.75 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.26 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.3 tmm? . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.79 -51.62 65.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.66 84.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.99 65.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -40.29 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.27 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.05 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.34 -35.48 92.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.38 -37.66 88.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.521 ' HE1' ' HB3' ' B' ' 629' ' ' LEU . 45.3 tpp -57.36 -58.86 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -56.4 -25.94 51.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -74.78 -29.2 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -69.31 -45.78 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.0 mp -73.23 -47.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.72 63.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -72.9 -34.13 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.91 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.5 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.815 0.341 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.0 -54.04 51.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.48 -47.58 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.2 93.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -63.69 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.88 65.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -64.57 -39.35 93.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.09 -54.83 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.9 -32.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HB1' HD12 ' B' ' 666' ' ' LEU . . . -79.35 -40.74 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.48 -31.44 23.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.41 -30.34 62.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.37 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.537 HG13 ' CH2' ' B' ' 659' ' ' TRP . 27.1 t -63.81 -35.3 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -66.88 -44.16 81.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -69.89 -35.77 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.439 ' HA ' HG22 ' A' ' 71' ' ' VAL . 82.5 mt -72.0 -26.61 62.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD21 HD13 ' B' ' 633' ' ' ILE . 5.1 mt -70.22 -30.09 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.72 -55.06 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.905 HG21 HD12 ' B' ' 650' ' ' ILE . 27.0 m -57.03 -32.92 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.1 77.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.662 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 42.2 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.6 22.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -58.77 -33.97 70.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.17 -29.27 31.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.53 -65.51 2.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.07 -48.77 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.033 0 CA-C-O 120.875 0.369 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.08 -47.81 59.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -55.2 -56.6 18.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.427 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.81 -40.93 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.53 -24.89 48.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.414 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.0 m -66.83 -39.08 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.78 -44.39 90.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 627' ' ' GLN . . . . . 0.768 ' NE2' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -52.62 -42.12 64.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.0 m -75.99 -31.12 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.521 ' HB3' ' HE1' ' A' ' 25' ' ' MET . 0.1 OUTLIER -66.67 -52.72 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.9 -33.84 56.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.24 76.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.084 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.9 -43.71 77.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.613 HD13 HD21 ' A' ' 69' ' ' LEU . 50.5 mt -72.95 -34.0 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.28 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 99.5 t -56.27 -51.38 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -53.39 -37.28 62.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 637' ' ' GLN . . . . . 0.404 ' NE2' ' CZ3' ' B' ' 655' ' ' TRP . 0.0 OUTLIER -73.81 -32.1 63.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.86 58.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.18 -25.29 36.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.79 28.34 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -54.65 -38.95 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.4 p -62.63 -26.51 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.66 -31.18 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -52.05 149.26 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -94.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.97 32.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -144.8 26.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 29.8 p -118.63 -29.77 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 174.63 -79.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.905 HD12 HG21 ' A' ' 71' ' ' VAL . 59.4 mt -93.0 144.14 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 111.085 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.49 171.42 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.03 -38.64 91.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.02 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 655' ' ' TRP . . . . . 0.404 ' CZ3' ' NE2' ' B' ' 637' ' ' GLN . 41.4 t90 -54.43 -53.66 51.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -52.25 -29.72 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -53.51 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.27 -50.35 71.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.537 ' CH2' HG13 ' A' ' 65' ' ' VAL . 67.7 t-105 -52.05 -50.99 60.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -59.32 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.82 -45.88 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.3 48.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.694 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.73 -50.39 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -54.89 -38.59 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -66.1 -45.8 79.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.508 HD12 ' HB1' ' A' ' 61' ' ' ALA . 10.2 mp -59.64 -43.56 93.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.768 HG21 ' NE2' ' B' ' 627' ' ' GLN . 20.3 t -60.76 -51.26 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -65.56 -31.67 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.53 65.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.427 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 32.5 t80 -83.13 -46.75 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -62.0 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.75 -50.2 38.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 14.5 tmm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.853 0.359 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' HG23 ' B' ' 633' ' ' ILE . 32.9 t80 -77.86 -48.79 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -30.83 31.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -52.01 45.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' CB ' HD12 ' A' ' 69' ' ' LEU . . . -62.42 -50.75 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.13 -25.68 74.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -79.92 -33.63 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.408 ' HE3' HD12 ' B' ' 633' ' ' ILE . 0.3 OUTLIER -55.47 -59.07 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -57.51 -23.72 51.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.13 -39.62 29.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -51.86 -43.56 63.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.434 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -72.92 -45.85 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.83 -45.08 70.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.484 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -39.97 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.78 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.7 t80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 55' ' ' HIS . 2.1 tt0 -62.96 -47.73 81.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.87 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.91 -28.61 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 52' ' ' GLN . 5.5 t-160 -62.88 -53.56 52.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 59' ' ' VAL . . . -61.12 -31.04 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -68.42 -36.46 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.99 -53.96 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 56' ' ' ALA . 5.0 p -53.3 -36.89 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.36 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' B' ' 666' ' ' LEU . . . -79.32 -44.65 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.47 -31.6 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.14 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' B' ' 662' ' ' ALA . 9.3 tptt -59.92 -52.45 65.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.736 HG21 HD11 ' B' ' 666' ' ' LEU . 18.9 t -54.6 -52.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -30.57 29.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 71' ' ' VAL . 44.4 m -79.65 -27.4 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 65' ' ' VAL . 69.7 mt -74.83 -40.63 60.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD2' HG12 ' A' ' 65' ' ' VAL . 2.8 mm? -55.09 -50.97 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -59.23 -32.24 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 67' ' ' THR . 98.3 t -76.08 -37.52 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.29 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.697 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 57.2 mt-30 -71.4 -33.9 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.37 77.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.52 -38.13 62.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.518 HD13 HD12 ' B' ' 640' ' ' LEU . 48.0 mt -74.67 -25.89 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 -72.45 1.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -45.98 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.697 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.811 0.338 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.22 -31.81 59.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -43.98 94.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -52.06 -47.82 64.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.52 24.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 26.6 m -60.68 -36.75 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 0.0 111.137 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 626' ' ' LEU . 3.9 mm? -65.45 -46.14 81.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 627' ' ' GLN . . . . . 0.434 ' HG3' HG21 ' B' ' 667' ' ' VAL . 6.8 tt0 -52.64 -40.83 63.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -32.82 59.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.408 HD12 ' CE ' ' A' ' 25' ' ' MET . 0.1 OUTLIER -68.62 -44.16 74.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.5 88.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.33 -31.87 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.89 -41.64 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.427 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 8.3 mt -72.95 -32.61 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.15 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.27 -31.77 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.88 -52.93 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.21 -29.81 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.88 -25.78 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.15 -26.03 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.518 HD12 HD13 ' A' ' 76' ' ' LEU . 10.3 mt -101.09 25.43 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -52.1 -51.06 60.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -26.42 59.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.33 -31.65 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -52.02 149.14 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.43 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 81.63 16.93 71.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.7 -27.2 6.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.6 p -77.64 -30.42 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -173.06 -120.66 0.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.607 ' HB ' HG11 ' A' ' 71' ' ' VAL . 59.0 mt -54.89 143.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 174.62 6.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -62.84 -40.87 98.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -74.71 -42.66 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 654' ' ' ALA . . . . . 0.489 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -66.53 -35.32 79.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -70.02 -54.27 13.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.59 -28.05 30.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.09 -26.51 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.489 HE21 ' HB1' ' B' ' 654' ' ' ALA . 29.2 mt-30 -76.28 -53.0 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -56.7 -41.73 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -49.99 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.96 -46.09 86.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 662' ' ' ALA . . . . . 0.441 ' HB2' ' CG ' ' A' ' 64' ' ' LYS . . . -57.3 -54.74 43.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.806 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.1 OUTLIER -56.39 -57.47 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.25 -33.74 42.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -66.72 -50.48 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.0 mt -57.14 -48.75 77.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 663' ' ' MET . 32.5 t -52.15 -49.3 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -70.42 -30.52 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.08 -38.78 71.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.6 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 17.4 t80 -70.17 -52.75 21.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.97 -23.3 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.93 62.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 57.8 ttp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.795 0.331 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.1 -45.47 94.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -34.38 39.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.05 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -49.88 14.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 69' ' ' LEU . . . -57.77 -37.91 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.04 -25.72 74.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.6 -30.23 52.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.87 -58.72 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -56.05 -25.6 45.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -74.69 -32.26 62.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -67.94 -46.41 71.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.619 HG13 HD21 ' B' ' 626' ' ' LEU . 4.4 mp -72.19 -47.47 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.02 -46.81 68.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -73.04 -43.11 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.72 68.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.3 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.53 -54.07 50.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.72 -47.22 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' B' ' 673' ' ' MET . . . -64.34 -38.43 91.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -67.49 -40.33 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.77 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -67.5 -32.63 73.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' HA ' ' HB1' ' B' ' 669' ' ' ALA . 3.4 t80 -71.91 -55.15 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.65 -32.42 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.84 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -41.52 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.54 -37.9 51.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.21 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -57.26 -52.86 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.724 HG21 HD22 ' B' ' 666' ' ' LEU . 21.6 t -58.19 -53.29 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -36.19 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.691 ' O ' HG23 ' A' ' 71' ' ' VAL . 41.1 m -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 65' ' ' VAL . 37.6 mt -71.88 -48.07 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.676 HD11 HD13 ' B' ' 633' ' ' ILE . 1.2 mm? -55.4 -33.68 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -32.67 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 67' ' ' THR . 85.6 t -76.89 -34.1 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.19 77.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.633 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 73.7 mt-30 -68.02 -40.85 82.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.47 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.7 -38.69 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.2 -28.03 62.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 -71.72 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -43.32 65.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -42.88 60.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -57.15 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -52.77 -32.94 46.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.57 24.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.7 m -64.67 -38.84 92.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.954 HD23 HD11 ' B' ' 666' ' ' LEU . 10.4 mp -61.32 -39.59 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.62 -50.11 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.4 t -64.26 -53.21 52.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.551 ' O ' HD12 ' B' ' 629' ' ' LEU . 9.0 tp -61.76 -34.88 76.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.83 93.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.44 78.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -55.9 -42.3 75.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.676 HD13 HD11 ' A' ' 69' ' ' LEU . 78.3 mt -73.26 -35.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.61 -42.39 82.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.7 p -77.42 -31.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.82 -50.48 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -69.99 -29.71 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.25 62.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.28 -24.65 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.92 25.66 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -55.22 -49.11 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.7 m -55.43 -26.32 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.48 -30.87 42.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -52.08 150.24 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -96.4 -65.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.1 -28.99 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.78 25.94 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.813 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 4.1 p -126.96 24.64 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.52 -106.32 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 54.6 mt -78.33 144.18 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 0.0 111.106 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.36 170.83 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -60.89 -42.07 97.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.16 -42.05 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.57 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -70.2 -53.75 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -53.81 -28.79 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.75 -23.89 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -76.35 -51.55 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.53 ' CE3' HD13 ' A' ' 68' ' ' LEU . 52.7 t-105 -51.9 -49.4 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -58.08 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -56.73 -48.57 77.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.7 34.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.726 ' O ' HG23 ' B' ' 667' ' ' VAL . 28.6 tpp -55.59 -43.03 75.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -53.54 -56.49 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.43 -28.25 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.954 HD11 HD23 ' B' ' 626' ' ' LEU . 0.3 OUTLIER -68.77 -37.1 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 663' ' ' MET . 99.4 t -66.94 -51.47 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -59.15 -30.41 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -55.96 -26.97 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.647 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 52.6 t80 -85.77 -52.23 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.14 -25.28 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.34 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 673' ' ' MET . . . . . 0.505 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CD1' ' HB1' ' A' ' 79' ' ' ALA . 12.4 t80 -57.18 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.76 -39.58 74.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.62 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -42.1 49.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.25 68.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.74 -25.69 74.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -74.63 -26.72 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.408 ' HA ' HD13 ' B' ' 629' ' ' LEU . 26.1 tpp -60.57 -58.64 7.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -57.06 -25.65 59.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -69.1 -39.13 79.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -45.64 91.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.677 HG13 HD21 ' B' ' 626' ' ' LEU . 4.5 mp -73.09 -46.51 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.08 84.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -73.08 -41.64 63.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.62 -28.87 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.0 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.73 -54.01 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -50.98 59.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.58 89.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -64.12 -36.45 84.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.75 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 87.7 t80 -69.09 -54.75 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.99 -33.57 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.83 98.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.28 -41.56 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 -33.18 35.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.09 99.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -62.94 -52.57 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.47 HG11 HD22 ' B' ' 666' ' ' LEU . 7.2 p -66.53 -31.61 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.17 -50.77 29.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 m -59.62 -49.47 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' B' ' 658' ' ' GLN . 66.2 mt -54.5 -28.43 44.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.59 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.984 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.4 -51.6 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.82 HG21 HD12 ' B' ' 650' ' ' ILE . 22.8 m -59.82 -32.92 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.09 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 66.4 mt-30 -70.11 -33.94 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.85 -36.4 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -81.24 -39.12 25.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.652 HD13 HD12 ' B' ' 640' ' ' LEU . 54.7 mt -75.64 -29.23 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.77 -75.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 -32.25 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.67 -49.19 76.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -55.64 20.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.48 55.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.85 -24.64 34.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 32.7 m -59.91 -42.69 94.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 111.13 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.677 HD21 HG13 ' A' ' 29' ' ' ILE . 6.6 mp -68.13 -47.12 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -37.74 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -53.06 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 25' ' ' MET . 0.9 OUTLIER -54.4 -38.88 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.95 -52.44 35.02 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.51 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.306 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -55.88 -42.01 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.464 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 70.7 mt -73.48 -32.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.44 -53.15 38.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.27 -31.67 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.58 -41.91 98.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -37.51 86.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.79 -22.19 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.652 HD12 HD13 ' A' ' 76' ' ' LEU . 9.5 mt -117.16 36.02 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -56.38 -49.48 74.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -26.11 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.2 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -58.4 144.07 43.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -92.54 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 106.36 -21.58 32.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 26.33 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 56.5 p -119.68 -31.13 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.93 -117.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.82 HD12 HG21 ' A' ' 71' ' ' VAL . 55.8 mt -54.45 143.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.12 170.67 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -63.82 -38.91 92.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.67 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.19 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.46 -41.61 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -52.75 -56.04 18.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.35 78.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 68' ' ' LEU . 32.1 mt-30 -56.24 -50.89 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.464 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 65.3 t-105 -61.06 -56.13 24.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -50.88 -48.97 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -63.37 -35.23 79.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -67.79 -54.91 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.703 ' O ' HG23 ' B' ' 667' ' ' VAL . 38.5 tpp -58.16 -39.66 79.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -55.39 -56.14 23.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.47 -28.15 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.598 ' O ' HD12 ' B' ' 666' ' ' LEU . 0.3 OUTLIER -65.33 -37.49 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.703 HG23 ' O ' ' B' ' 663' ' ' MET . 99.1 t -67.11 -51.21 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -65.99 -38.9 89.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.25 -25.07 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -85.47 -57.56 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -23.5 62.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -37.22 59.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.9 ttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -72.28 -51.78 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.19 -31.11 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.82 85.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -38.48 59.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.74 89.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.13 72.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -27.4 65.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.42 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.78 -58.69 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.46 -26.21 41.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -72.9 -29.84 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.542 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.2 OUTLIER -71.78 -45.37 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.1 mp -73.22 -47.81 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -46.83 65.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -72.96 -34.05 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.51 -27.63 65.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.319 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' HA ' ' HB3' ' A' ' 55' ' ' HIS . 2.1 tt0 -62.95 -47.85 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.4 -56.93 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.99 -28.5 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 52' ' ' GLN . 1.4 t60 -62.85 -53.12 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.14 -30.85 68.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -68.11 -38.73 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.8 -54.28 16.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.53 -36.98 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.47 33.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.75 68.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.77 -38.12 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.24 -47.65 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.687 HG21 HD22 ' B' ' 666' ' ' LEU . 20.9 t -60.47 -46.11 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.9 -50.35 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.673 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.3 m -54.5 -46.14 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.19 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.538 HD13 ' HA ' ' B' ' 659' ' ' TRP . 47.1 mt -60.05 -44.99 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.24 -52.79 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -49.52 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 67' ' ' THR . 91.7 t -56.56 -33.06 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.44 80.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.548 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 77.2 mt-30 -69.68 -35.78 75.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -79.96 -40.81 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.408 HD13 HD12 ' B' ' 640' ' ' LEU . 95.5 mt -73.75 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.31 -69.27 2.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.529 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.53 -32.39 50.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.857 0.361 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.46 -32.61 45.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -41.35 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -53.07 -45.05 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.9 -24.97 35.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 56.8 m -57.4 -35.09 69.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.496 HD23 ' CG2' ' A' ' 28' ' ' THR . 54.0 mt -68.16 -44.36 76.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 627' ' ' GLN . . . . . 0.479 ' HG3' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -60.16 -36.91 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.3 m -75.93 -53.1 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.542 HD13 ' OG1' ' A' ' 28' ' ' THR . 4.1 tt -57.85 -52.64 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.61 -36.51 48.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.672 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.46 -32.08 48.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.96 -34.08 77.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.28 -38.73 54.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.42 72.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.672 HG23 ' O ' ' B' ' 631' ' ' ALA . 85.1 t -76.02 -31.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -51.4 45.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -64.98 -30.16 71.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.83 -25.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.24 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.408 HD12 HD13 ' A' ' 76' ' ' LEU . 11.2 mt -101.91 28.67 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.25 -50.15 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 94.7 p -57.61 -27.15 62.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.58 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -52.13 149.67 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -95.52 -72.28 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.8 -18.73 49.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -95.86 26.15 4.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -118.38 -28.28 5.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 167.24 -80.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.83 143.16 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.381 . . . . 0.0 111.18 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 174.29 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.99 -38.51 88.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -73.63 -41.19 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 654' ' ' ALA . . . . . 0.551 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -70.11 -42.67 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -62.14 -42.73 99.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.7 -55.82 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.69 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.551 HE21 ' HB1' ' B' ' 654' ' ' ALA . 33.7 mt-30 -58.96 -52.72 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.538 ' HA ' HD13 ' A' ' 68' ' ' LEU . 72.2 t-105 -53.42 -58.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -55.95 -54.68 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -52.79 -34.18 52.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.41 -54.25 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.747 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.48 -38.63 54.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -55.38 -55.97 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.806 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -28.37 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.687 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.67 -37.36 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 663' ' ' MET . 46.4 t -72.66 -47.93 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -51.77 -31.54 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.45 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -84.9 -51.1 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.0 -48.44 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.89 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.901 0.381 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -55.06 -51.15 67.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.99 62.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.39 96.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -38.37 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.94 -32.07 69.83 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.465 HD23 HD11 ' B' ' 629' ' ' LEU . 0.4 OUTLIER -79.83 -28.75 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.883 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -58.8 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -58.23 -26.12 62.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.65 -26.92 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.597 ' CG2' HD23 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -71.17 -46.51 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.1 mp -73.17 -47.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -47.51 64.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -72.98 -34.08 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.01 66.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.89 -54.06 21.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -45.93 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' B' ' 673' ' ' MET . . . -64.27 -38.33 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -68.28 -38.68 81.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.3 -30.95 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.05 -42.38 99.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.25 -54.7 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.94 -32.72 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.8 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.57 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.97 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.28 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -70.2 -49.84 46.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.737 HG21 HD13 ' B' ' 666' ' ' LEU . 22.5 t -57.34 -44.59 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.81 -49.33 73.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.8 m -57.06 -36.28 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 659' ' ' TRP . 58.3 mt -76.18 -33.37 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -47.92 68.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 67' ' ' THR . 92.8 t -54.81 -33.13 27.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.96 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.584 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 58.2 mt-30 -68.69 -35.64 77.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.37 74.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.86 -38.89 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.8 -31.98 63.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.35 -70.4 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -31.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.584 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.05 -36.67 52.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.65 -48.13 82.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.78 -41.93 62.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.49 -36.19 46.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.9 m -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.597 HD23 ' CG2' ' A' ' 28' ' ' THR . 8.4 mt -67.33 -57.7 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.74 -35.55 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 41.9 t -75.68 -37.15 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.5 ' O ' HD23 ' B' ' 629' ' ' LEU . 5.8 tt -69.05 -43.26 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.3 -45.41 58.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.66 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -55.96 -44.09 78.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.464 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 69.6 mt -73.25 -32.53 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 634' ' ' ALA . . . . . 0.408 ' HB2' ' CD1' ' B' ' 659' ' ' TRP . . . -69.26 -40.42 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.41 -31.19 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.89 -52.83 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -65.03 -29.71 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.29 -24.7 65.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.62 -24.87 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.3 mt -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -56.05 -47.85 77.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -26.73 39.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.36 -30.94 62.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -53.26 149.53 7.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -93.2 -70.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.23 6.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.404 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.19 26.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 72.8 p -119.83 -30.86 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.28 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.434 ' HB ' HG11 ' A' ' 71' ' ' VAL . 58.0 mt -102.47 142.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 651' ' ' THR . . . . . 0.432 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -99.95 175.01 5.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 652' ' ' TYR . . . . . 0.432 ' H ' HG22 ' B' ' 651' ' ' THR . 56.0 p90 -66.27 -38.4 87.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -73.37 -41.17 63.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.73 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -59.04 -48.47 81.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -54.25 -27.42 34.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.44 -27.33 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -75.79 -52.38 10.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.464 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 70.4 t-105 -51.96 -58.98 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.34 -57.84 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -52.94 -30.34 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 662' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' B' ' 659' ' ' TRP . . . -69.16 -54.77 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.51 ' O ' HG12 ' B' ' 667' ' ' VAL . 70.4 mmm -60.65 -30.09 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.8 -56.21 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.9 -28.29 58.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.737 HD13 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -68.42 -48.39 64.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.51 HG12 ' O ' ' B' ' 663' ' ' MET . 8.9 p -72.0 -30.4 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -65.87 -30.64 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.18 -27.04 52.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.595 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 58.0 t80 -85.66 -57.02 3.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -57.09 -27.0 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.34 -47.79 39.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 673' ' ' MET . . . . . 0.535 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 27.8 ttp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -74.01 -45.67 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.19 -30.27 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.93 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -75.82 -23.64 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.05 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.06 -33.22 69.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.78 -24.25 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -56.08 -25.67 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -77.89 -25.87 48.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -71.92 -44.94 62.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.7 mp -73.19 -46.45 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.68 68.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -72.91 -34.43 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.24 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.55 -53.27 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.76 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HB1' ' HG3' ' B' ' 673' ' ' MET . . . -61.95 -38.54 88.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -65.2 -36.26 83.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.11 65.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -64.19 -39.71 94.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.77 -54.76 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.31 -33.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.89 81.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB3' HD23 ' B' ' 666' ' ' LEU . . . -79.38 -37.54 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.1 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.13 64.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -39.93 64.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.719 ' CG2' HD11 ' B' ' 666' ' ' LEU . 11.4 t -66.85 -45.81 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -42.59 98.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -71.02 -34.52 71.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' B' ' 658' ' ' GLN . 28.4 mt -76.25 -26.47 56.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.645 HD21 HD13 ' B' ' 633' ' ' ILE . 6.5 mt -72.72 -30.03 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -54.21 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.069 HG21 HD12 ' B' ' 650' ' ' ILE . 33.3 m -55.47 -34.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.17 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -71.74 -54.04 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.6 -52.71 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -59.17 -21.41 59.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' B' ' 643' ' ' ALA . 36.2 mt -91.06 -14.92 30.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.47 -86.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.55 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -33.13 21.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.83 -32.85 41.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.28 -35.76 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.365 . . . . 0.0 110.92 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.668 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.27 -25.07 31.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.8 m -56.19 -45.25 79.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.528 HD22 ' H ' ' B' ' 626' ' ' LEU . 2.0 mm? -69.0 -39.5 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -53.52 -41.87 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.3 t -75.86 -34.99 60.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -52.79 53.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.2 -51.18 52.45 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.646 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.31 -42.57 66.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.72 -43.98 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.645 HD13 HD21 ' A' ' 69' ' ' LEU . 69.5 mt -73.41 -38.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 634' ' ' ALA . . . . . 0.654 ' HB2' ' CD1' ' B' ' 659' ' ' TRP . . . -65.71 -33.51 76.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 631' ' ' ALA . 84.9 t -77.55 -31.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.81 -52.82 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -59.67 -29.6 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.4 -29.22 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.32 -23.43 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.66 25.48 5.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.91 -30.68 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.5 t -74.03 -26.34 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 643' ' ' ALA . . . . . 0.639 ' HB3' HD22 ' A' ' 76' ' ' LEU . . . -75.4 -25.41 57.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -63.58 121.25 13.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 -26.27 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.42 27.0 24.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.17 20.77 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 18.7 p -120.3 -31.05 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 178.12 -99.62 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 1.069 HD12 HG21 ' A' ' 71' ' ' VAL . 56.1 mt -65.8 143.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.413 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.86 164.94 12.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -60.45 -40.54 91.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -74.11 -41.54 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.3 68.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -54.52 -52.51 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.52 -30.03 18.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.99 -51.09 7.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' LEU . 10.1 mt-30 -56.54 -47.33 79.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' B' ' 634' ' ' ALA . 65.5 t-105 -51.9 -59.14 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -38.69 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -68.82 -35.74 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -69.94 -54.88 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.832 ' HA ' HD12 ' B' ' 666' ' ' LEU . 34.3 mmm -59.94 -48.77 80.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -55.3 -32.77 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -72.23 -50.61 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.0 mt -56.67 -47.72 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 663' ' ' MET . 42.1 t -51.3 -50.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -70.42 -31.31 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.14 -46.43 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.668 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 14.8 t80 -62.03 -56.75 15.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -59.46 -21.9 60.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 672' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.7 -38.91 61.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 673' ' ' MET . . . . . 0.44 ' HG3' ' HB1' ' A' ' 54' ' ' ALA . 6.9 mtp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.747 0.308 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 57.0 t80 -52.77 -51.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -34.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.15 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -19.52 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 18' ' ' PHE . . . -61.87 -50.19 73.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.32 -25.65 41.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -23.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -56.24 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -61.85 -24.06 66.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.14 -50.02 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -54.3 -50.32 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.2 mp -65.77 -48.15 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.62 -46.16 89.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -72.86 -39.54 66.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.38 -27.77 67.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.778 0.323 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -54.31 -53.19 57.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.45 -53.26 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -64.56 -35.94 82.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -30.64 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -68.84 -32.63 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 34.0 t80 -73.51 -54.04 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.78 -32.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -44.24 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.18 62.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.61 -40.1 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -63.97 -46.42 84.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.68 HG21 HD13 ' B' ' 666' ' ' LEU . 21.5 t -62.53 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -49.1 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 71' ' ' VAL . 93.9 m -55.34 -49.73 71.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.8 -29.04 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.43 -43.37 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -74.42 -32.24 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 67' ' ' THR . 57.5 t -68.52 -34.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.51 -50.29 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.543 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 45.3 mt-30 -62.01 -33.31 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.4 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -69.53 -36.24 76.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' B' ' 640' ' ' LEU . 40.2 mt -70.75 -33.36 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.27 -59.51 3.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.46 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -53.21 40.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.91 0.386 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.65 96.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.45 -47.52 83.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.504 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -51.75 -42.77 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -61.96 -27.08 68.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 54.6 m -61.39 -33.91 74.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.883 0.373 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.2 -47.3 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.87 -43.12 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 t -70.48 -30.48 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -52.83 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.63 93.64 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -55.53 -32.36 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -66.45 -31.99 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.561 HD12 ' CZ2' ' B' ' 659' ' ' TRP . 76.6 mt -73.24 -41.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.68 98.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.7 -31.13 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.51 -52.66 14.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -61.85 -29.62 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.58 -24.68 36.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.407 ' HB2' HD22 ' A' ' 76' ' ' LEU . 12.5 mt -106.55 32.46 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -40.48 96.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.05 50.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -57.08 142.16 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 92.62 2.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -69.17 -6.66 54.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.03 -14.13 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.9 p -105.14 -31.07 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.68 -134.84 1.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.42 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.663 HD12 HG11 ' A' ' 71' ' ' VAL . 63.6 mt -53.65 137.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 158.77 19.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -55.63 -41.17 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.92 -42.72 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.42 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -54.28 -49.74 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -29.7 18.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.95 -48.59 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.98 -50.72 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' B' ' 633' ' ' ILE . 70.1 t-105 -51.8 -59.26 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.74 -52.67 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -52.24 -32.88 38.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.18 5.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.543 ' O ' HG12 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.04 -31.35 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.29 -53.84 49.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 665' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' B' ' 669' ' ' ALA . 43.7 t0 -74.69 -26.7 60.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -72.14 -58.4 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 663' ' ' MET . 8.6 p -54.49 -41.8 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 668' ' ' ARG . . . . . 0.461 ' N ' HG13 ' B' ' 667' ' ' VAL . 20.5 ptt180 -72.63 -31.17 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' B' ' 665' ' ' ASP . . . -58.69 -25.63 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.504 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 83.1 t80 -85.6 -58.2 2.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -58.8 -55.49 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.02 -46.92 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 59.3 ttp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.822 0.344 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -54.22 -42.51 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.71 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.21 -51.77 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.22 -38.67 90.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.59 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.15 -27.64 69.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -33.2 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ttm -56.92 -57.49 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.99 21.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -76.33 -35.89 58.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -48.62 73.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.414 ' H ' HD12 ' A' ' 29' ' ' ILE . 3.6 mp -66.92 -47.49 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.66 -45.82 67.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -73.01 -44.09 61.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.43 78.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.775 0.322 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.4 -53.98 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.06 61.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.23 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -70.57 -37.26 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.99 65.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -65.74 -36.89 84.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.41 -54.77 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.35 -33.88 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.25 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.51 -36.09 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.43 -30.56 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -72.07 -42.62 66.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.767 HG21 HD11 ' B' ' 666' ' ' LEU . 14.3 t -64.72 -47.05 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -51.18 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 71' ' ' VAL . 96.9 m -55.16 -37.86 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 64' ' ' LYS . 34.0 mt -76.27 -37.3 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.7 -34.44 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.87 -44.13 21.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 67' ' ' THR . 60.4 t -62.46 -37.41 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.03 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.63 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 74.9 mt-30 -68.98 -34.06 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.0 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.12 -33.4 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.71 -31.21 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.15 -63.45 3.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.92 -44.14 82.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.762 0.315 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.99 -56.08 26.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -73.09 -32.24 64.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.357 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.21 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.11 -25.82 18.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.426 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.1 m -55.56 -36.07 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.81 -47.92 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.19 -37.62 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 m -71.18 -32.12 68.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -50.13 68.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -47.14 54.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.525 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.36 -38.73 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.729 0.3 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.74 -43.86 76.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 50.1 mt -73.23 -32.66 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.18 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 631' ' ' ALA . 94.4 t -56.19 -51.21 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -53.51 -37.55 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -31.87 63.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.24 -24.65 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.36 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.4 mt -107.32 26.94 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -52.1 -46.55 65.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.2 m -55.38 -26.47 41.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.71 -30.41 40.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -53.97 148.39 10.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -97.95 -60.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.96 -21.0 42.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.45 -25.45 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.7 p -66.94 -29.1 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.17 -114.7 0.57 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.508 ' HB ' HG11 ' A' ' 71' ' ' VAL . 62.1 mt -53.93 143.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.51 175.95 5.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.5 -39.2 91.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -73.89 -40.31 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.07 74.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -66.7 -54.06 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -28.5 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -84.22 -54.35 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.16 -50.66 70.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -52.05 -55.88 17.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.75 -47.19 64.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -62.46 -32.57 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.55 17.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.836 ' HA ' HD12 ' B' ' 666' ' ' LEU . 34.8 mmm -58.42 -52.38 65.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.13 -32.54 35.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.37 -51.31 21.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.8 mt -55.01 -47.2 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 663' ' ' MET . 92.1 t -51.49 -51.24 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -70.58 -30.31 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -55.66 -50.06 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.86 -49.09 77.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -63.62 -22.12 66.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 672' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.84 -38.72 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 45.0 ttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.544 ' CE1' HD23 ' A' ' 69' ' ' LEU . 13.9 t80 -70.4 -44.24 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.66 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.72 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -28.47 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -50.54 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.62 74.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.547 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -28.94 49.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -58.79 6.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -42.41 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -55.63 -25.87 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -78.04 -40.82 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.551 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 30.9 mm -64.98 -46.65 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.89 -28.83 73.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -35.6 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 -34.73 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.842 0.354 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.77 -54.09 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.06 -47.29 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.25 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -70.92 -38.53 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.0 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.551 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 3.4 t80 -65.26 -54.76 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.02 -32.44 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.68 86.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.24 -37.42 38.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.3 -31.48 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -35.24 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -50.08 38.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.005 HG21 HD11 ' B' ' 666' ' ' LEU . 21.6 t -59.03 -44.45 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.12 -41.68 93.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.1 m -70.87 -32.29 69.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' B' ' 658' ' ' GLN . 64.9 mt -76.2 -26.57 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.633 HD21 HD13 ' B' ' 633' ' ' ILE . 2.4 mt -74.51 -29.64 61.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -80.07 -53.3 6.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.056 HG21 HD12 ' B' ' 650' ' ' ILE . 27.2 m -54.28 -38.04 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.16 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.675 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 31.0 mt-30 -57.5 -33.29 67.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.13 -27.87 59.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -82.01 -43.59 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.77 -22.17 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 -78.23 0.71 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.2 -30.96 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.784 0.326 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -66.6 -42.92 93.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -61.08 -49.64 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.32 -36.88 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.058 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -73.26 -24.46 75.36 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.403 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.3 m -55.62 -43.72 76.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.127 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.583 ' H ' HD22 ' B' ' 626' ' ' LEU . 1.2 mm? -68.87 -39.17 79.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -52.63 -45.8 66.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 23.1 t -76.17 -39.97 53.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -52.7 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.79 -35.25 90.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.442 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -56.1 -32.55 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.47 -35.68 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.633 HD13 HD21 ' A' ' 69' ' ' LEU . 80.0 mt -73.51 -41.52 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.14 96.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.24 -31.05 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -52.89 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.58 -26.55 63.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.19 -24.13 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.89 24.5 6.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -51.51 -49.49 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 17.6 m -61.03 -24.76 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.13 -22.78 38.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -51.44 147.97 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -106.35 -41.62 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 63.82 14.54 55.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.539 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -111.38 23.75 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.969 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.7 p -116.02 -27.97 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 159.14 -48.13 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 1.056 HD12 HG21 ' A' ' 71' ' ' VAL . 48.6 mt -105.25 141.96 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.389 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.94 167.12 11.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -59.91 -41.17 91.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.33 -42.72 58.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.56 74.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -54.46 -54.63 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -53.07 -28.78 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.04 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.564 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.2 mt-30 -76.16 -52.56 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.453 ' CH2' HG13 ' A' ' 65' ' ' VAL . 58.9 t-105 -51.88 -46.68 64.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -53.15 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -58.11 -48.0 81.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.23 48.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.804 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -52.71 -57.77 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.21 -33.04 39.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -68.32 -46.85 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 1.005 HD11 HG21 ' A' ' 65' ' ' VAL . 2.2 mt -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 78.8 t -53.36 -53.01 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.69 66.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.1 -42.49 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -75.12 -51.62 13.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -58.3 -22.75 54.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -40.51 63.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 tmm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.835 0.35 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -52.14 -49.54 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.4 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.83 -44.93 74.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -31.67 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.64 -50.21 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.47 -29.98 75.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -25.37 60.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.558 ' HA ' HD21 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -53.2 -58.77 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -60.78 -39.24 88.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.09 -44.18 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -63.58 -35.56 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.548 HD12 ' HZ ' ' A' ' 58' ' ' PHE . 27.1 mm -72.92 -37.46 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.79 -40.01 95.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.58 -49.78 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.24 -27.98 62.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -62.24 -54.12 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -55.06 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.3 95.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -61.74 -39.03 90.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.96 66.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -64.9 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' HZ ' HD12 ' A' ' 29' ' ' ILE . 3.4 t80 -65.87 -54.91 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.03 -33.63 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.32 88.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -35.62 40.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -52.93 -31.51 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -52.73 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.493 ' HB ' HD11 ' B' ' 666' ' ' LEU . 7.3 p -63.23 -31.68 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.72 -51.5 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.757 ' O ' HG23 ' A' ' 71' ' ' VAL . 87.1 m -58.28 -52.12 66.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -52.94 -39.7 63.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.6 -41.34 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -79.84 -32.29 40.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.782 HG11 HD12 ' B' ' 650' ' ' ILE . 53.0 t -61.97 -51.5 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.26 63.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.536 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 79.4 mt-30 -62.92 -33.72 75.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.57 -51.45 59.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -66.66 -39.32 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.493 HD13 HD12 ' B' ' 640' ' ' LEU . 48.9 mt -70.72 -30.19 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.18 -79.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.85 -29.03 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.79 0.329 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.98 -45.83 61.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -53.59 -56.33 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.96 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.531 ' HA ' HD13 ' B' ' 626' ' ' LEU . . . -51.88 -38.28 55.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.93 -24.43 49.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -75.78 -30.97 59.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' B' ' 623' ' ' ALA . 10.7 mp -62.35 -42.17 99.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -52.84 28.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 2.6 m -59.82 -52.93 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 25' ' ' MET . 15.9 tp -54.22 -52.76 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.6 -45.59 54.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.628 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 72.4 mt -73.11 -38.46 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.74 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 631' ' ' ALA . 67.2 t -76.39 -35.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.03 -50.6 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -64.75 -29.89 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.4 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.493 HD12 HD13 ' A' ' 76' ' ' LEU . 9.0 mt -99.83 24.58 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -56.82 -43.0 80.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -56.97 -26.03 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.04 -26.13 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -51.62 146.44 7.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 93.89 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -73.77 -2.83 61.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.5 -15.26 63.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.953 0.406 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -30.66 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.55 -133.57 1.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.782 HD12 HG11 ' A' ' 71' ' ' VAL . 62.2 mt -53.73 137.66 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.09 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.35 160.31 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -57.17 -40.74 77.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -73.98 -42.45 60.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.92 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -54.42 -51.18 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -51.96 -29.44 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.4 -27.38 20.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.22 -52.99 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -52.53 -52.76 53.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.63 -46.75 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -60.72 -42.63 97.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -65.46 -54.38 29.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.791 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.6 OUTLIER -51.82 -50.11 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -33.15 56.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -73.48 -43.35 60.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' B' ' 663' ' ' MET . 10.2 mt -59.58 -56.02 27.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 19.7 m -55.72 -39.02 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -70.41 -35.53 73.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.3 64.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.44 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 30.5 t80 -62.74 -47.17 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.51 -27.29 68.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.56 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 25.1 ttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' A' ' 20' ' ' ALA . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.333 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.01 -51.81 54.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.87 54.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -61.83 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -33.89 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.11 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -30.48 77.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.27 -31.58 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.622 ' HA ' HD13 ' B' ' 629' ' ' LEU . 29.7 tpp -64.43 -58.68 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -29.15 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.93 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.4 -41.73 93.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.526 HG13 HD21 ' B' ' 626' ' ' LEU . 5.0 mp -73.07 -47.77 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.43 64.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -72.95 -35.78 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.9 -54.07 49.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.37 -31.42 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.19 -36.97 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -66.14 -35.54 80.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.01 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -63.53 -42.09 98.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.3 t80 -62.47 -54.69 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.63 -32.77 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -35.07 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.29 -39.27 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.26 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -32.44 65.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 5.5 tmtp? -74.53 -39.95 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.851 HG21 HD22 ' B' ' 666' ' ' LEU . 20.1 t -70.72 -44.81 76.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.82 -49.69 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 m -59.25 -35.13 73.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.7 mt -73.45 -43.13 60.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.82 -44.43 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.95 -43.23 93.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 67' ' ' THR . 99.6 t -65.93 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.05 72.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.523 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 81.9 mt-30 -71.65 -36.91 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.46 88.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -73.14 -42.33 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.435 HD13 HD12 ' B' ' 640' ' ' LEU . 99.0 mt -71.34 -30.08 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.83 -73.22 1.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -30.2 24.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.842 0.353 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.9 -31.67 55.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -62.01 -42.36 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.503 ' O ' HG13 ' B' ' 667' ' ' VAL . . . -57.02 -50.62 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -63.92 -26.03 69.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 25.4 m -56.81 -43.87 81.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.199 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 666' ' ' LEU . 6.6 mp -68.37 -47.4 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 627' ' ' GLN . . . . . 0.624 ' CG ' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -52.93 -51.89 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.622 HD13 ' HA ' ' A' ' 25' ' ' MET . 1.1 tt -74.35 -33.91 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.67 -49.13 67.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.684 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -55.99 -36.85 68.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.37 -44.47 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 62.6 mt -73.16 -39.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.14 -32.26 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 631' ' ' ALA . 89.5 t -77.15 -32.66 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -65.53 -52.49 52.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -29.66 70.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.55 -25.03 36.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 76' ' ' LEU . 7.9 mt -107.05 25.99 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -52.12 -51.44 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -26.22 43.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 643' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' B' ' 640' ' ' LEU . . . -76.33 -31.68 58.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -52.09 148.53 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.11 -72.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.4 -17.88 52.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -95.9 26.16 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 30.9 p -119.22 -30.32 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.22 -83.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.9 mt -88.03 143.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.7 175.5 5.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -66.84 -38.67 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -73.67 -40.25 63.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.37 -41.89 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -63.09 -40.38 97.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.25 -55.98 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.23 -43.93 80.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -56.16 -51.79 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -52.03 -59.15 4.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -52.1 -46.0 65.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -63.01 -29.16 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 662' ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.58 -54.48 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.734 ' O ' HG23 ' B' ' 667' ' ' VAL . 83.8 mmm -56.88 -38.77 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.4 -56.14 23.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.83 -28.36 64.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.851 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.68 -37.1 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 663' ' ' MET . 54.8 t -72.19 -49.7 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -59.36 -30.64 68.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.12 -30.48 62.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -85.75 -37.4 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.85 -18.58 61.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.52 63.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.759 0.314 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.05 -50.73 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.17 -46.37 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.06 88.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -43.32 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.46 70.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -32.26 83.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.414 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -26.8 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.414 ' O ' HD12 ' A' ' 29' ' ' ILE . 41.5 tpp -60.72 -58.71 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -55.55 -26.1 41.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.5 -32.01 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -69.66 -41.72 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.15 -50.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.42 68.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -72.87 -34.13 66.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.34 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.783 0.325 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.56 -54.07 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.47 -43.94 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.74 -42.15 86.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -61.01 -42.91 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.92 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -66.85 -33.54 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.4 t80 -70.81 -54.99 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.05 -34.17 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.06 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -37.63 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.54 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.33 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -61.68 -52.76 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.07 -31.42 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.94 -53.71 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.0 m -54.12 -47.02 72.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' B' ' 650' ' ' ILE . 77.6 mt -61.84 -39.66 92.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -45.46 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.76 -48.8 62.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 67' ' ' THR . 75.2 t -54.47 -33.09 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -50.1 75.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.487 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 25.8 mt-30 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.55 77.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.26 -37.23 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.66 -30.23 61.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 -76.94 0.94 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.416 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.33 -30.48 28.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.448 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -70.19 -56.38 6.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.616 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -51.6 -42.61 62.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -57.85 -24.41 53.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 15.5 m -66.0 -45.6 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.773 HD13 HD11 ' B' ' 666' ' ' LEU . 17.6 mt -68.14 -36.57 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.97 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 10.4 t -73.57 -53.19 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -32.6 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.11 -48.72 77.47 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -64.12 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -55.94 -41.02 74.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 75.9 mt -73.16 -36.51 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.94 -29.1 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 631' ' ' ALA . 91.7 t -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -67.58 -51.83 45.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -64.5 -29.79 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.16 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.21 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.73 25.61 9.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -52.01 -48.2 64.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 2.3 m -57.91 -26.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.15 59.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.01 150.2 4.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -93.39 -66.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.6 -29.52 12.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -97.99 25.33 6.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.969 0.414 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 81.2 p -126.87 24.46 6.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.75 -106.12 0.9 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.431 ' CD1' HD23 ' A' ' 68' ' ' LEU . 59.6 mt -79.38 143.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.159 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 651' ' ' THR . . . . . 0.407 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -99.21 173.57 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 652' ' ' TYR . . . . . 0.407 ' H ' HG22 ' B' ' 651' ' ' THR . 55.9 p90 -65.29 -38.66 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.53 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.52 -44.03 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -60.36 -41.9 94.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -57.39 -55.85 29.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.25 87.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -56.25 -52.85 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -53.51 -55.85 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -51.53 -44.47 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -65.19 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.76 -55.14 6.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.66 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.5 OUTLIER -57.42 -40.82 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.43 -55.8 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -69.03 -28.48 66.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.773 HD11 HD13 ' B' ' 626' ' ' LEU . 0.1 OUTLIER -69.15 -35.45 76.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 663' ' ' MET . 72.3 t -66.33 -52.08 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -68.2 -30.49 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.85 46.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.616 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 82.8 t80 -85.77 -57.92 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -58.53 -22.04 54.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.89 -30.68 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.807 0.336 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.583 ' CD1' ' HB1' ' A' ' 79' ' ' ALA . 21.7 t80 -74.55 -51.7 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.37 70.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.44 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -35.09 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -49.4 69.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.15 -37.43 94.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.412 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.607 ' HB3' HD11 ' B' ' 629' ' ' LEU . 1.9 mm? -60.6 -36.85 79.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 0.0 110.892 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.483 ' HA ' HD13 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -60.21 -58.34 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.835 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -54.18 -27.37 33.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -69.24 -43.67 73.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -60.93 -47.76 84.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 4.4 mp -71.71 -47.07 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.98 -46.56 76.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.0 -43.33 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.8 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.21 -54.05 49.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.94 -48.63 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -68.11 -41.98 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.86 -30.82 67.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -67.15 -33.74 76.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 93.1 t80 -70.76 -54.82 10.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.9 -33.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.09 97.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' B' ' 666' ' ' LEU . . . -79.22 -35.69 41.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.87 58.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.67 70.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -72.85 -52.6 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG11 HD13 ' B' ' 666' ' ' LEU . 7.4 p -62.75 -31.68 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -71.89 -53.62 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -56.08 -40.41 73.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.448 ' HA ' HG22 ' A' ' 71' ' ' VAL . 79.7 mt -67.43 -26.58 66.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.87 -30.12 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.36 -51.57 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.817 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.84 HG21 HD12 ' B' ' 650' ' ' ILE . 31.7 m -58.42 -32.91 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.26 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.683 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 39.9 mt-30 -71.64 -34.06 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.26 -30.91 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -80.88 -43.36 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.441 HD13 HD12 ' B' ' 640' ' ' LEU . 68.8 mt -75.66 -25.22 56.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.98 -71.37 1.95 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.581 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -52.23 -38.91 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.907 0.384 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.35 -31.99 57.24 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -72.27 -33.37 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.7 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.57 -38.88 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.44 36.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 5.7 m -62.27 -40.24 95.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.653 HD13 HD21 ' B' ' 666' ' ' LEU . 86.3 mt -68.17 -37.58 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.28 -39.0 89.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.0 t -75.8 -53.13 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.92 -41.19 95.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.02 -39.99 50.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.79 -40.06 72.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.34 -32.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.92 -53.48 31.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.4 -40.81 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.12 -39.65 90.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -31.6 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.22 -24.55 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.24 -24.01 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 76' ' ' LEU . 10.3 mt -109.35 28.51 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -55.53 -47.37 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.981 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 12.0 p -55.4 -26.32 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.98 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -53.28 144.58 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.07 -64.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 98.27 -19.67 53.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.77 26.96 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 23.2 p -119.27 -30.37 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.63 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 71' ' ' VAL . 58.8 mt -75.03 142.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 171.57 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -73.62 -41.31 62.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.27 74.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -60.28 -42.23 95.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -55.85 -55.95 26.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.52 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.7 mt-30 -56.14 -52.47 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -51.96 -56.3 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -48.46 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -60.43 -33.41 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.588 ' O ' HG22 ' B' ' 667' ' ' VAL . 74.7 mmm -61.08 -32.58 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.13 -56.36 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -75.49 -28.01 59.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.653 HD21 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -67.08 -48.8 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 663' ' ' MET . 14.8 m -73.49 -30.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.3 -40.52 74.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.22 -52.14 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.7 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 38.5 t80 -59.61 -32.5 70.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.43 -25.78 66.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.933 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.46 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.6 tmm? . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.93 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.864 0.364 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.0 -51.74 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.54 -43.81 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.96 63.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -76.73 -40.98 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -37.32 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.27 -48.53 37.81 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.887 HD23 HD11 ' B' ' 629' ' ' LEU . 2.4 tp -61.11 -26.24 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -58.63 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -53.2 -28.66 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -73.77 -33.91 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.597 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.5 OUTLIER -67.42 -46.79 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.451 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.5 mp -73.01 -46.02 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.62 -41.69 65.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -37.55 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.89 -27.75 65.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.37 -54.11 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.37 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.02 96.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -63.13 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -31.05 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 3.5 t80 -63.72 -54.77 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.78 -33.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.51 77.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.17 41.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.09 -36.99 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.57 -29.27 61.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -74.61 -44.34 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.884 HG21 HD22 ' B' ' 666' ' ' LEU . 20.8 t -69.8 -41.26 79.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -66.68 -47.91 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -63.7 -33.14 74.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.431 ' HA ' HG22 ' A' ' 71' ' ' VAL . 40.8 mt -76.2 -27.68 56.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 69' ' ' LEU . 4.7 mt -72.27 -30.12 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -49.0 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.839 HG21 HD12 ' B' ' 650' ' ' ILE . 30.7 m -61.07 -32.84 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.86 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.562 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 64.0 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.42 -52.63 25.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -57.13 -35.87 70.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.36 -25.6 33.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.33 -71.56 1.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -46.58 65.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -51.78 -29.47 26.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -50.64 -32.03 17.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.369 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.85 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.69 -24.07 31.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 90.1 m -55.26 -32.89 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.128 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.467 HD12 HG22 ' A' ' 28' ' ' THR . 11.2 mp -68.27 -43.38 77.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 627' ' ' GLN . . . . . 0.782 ' HB2' HG11 ' B' ' 667' ' ' VAL . 3.3 tt0 -69.91 -48.9 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 30.9 t -56.37 -51.7 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.887 HD11 HD23 ' A' ' 24' ' ' LEU . 4.1 tt -54.51 -36.07 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.27 -42.11 81.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.25 65.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.315 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -55.99 -39.17 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.34 -33.26 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.24 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.41 -31.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.07 -52.83 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -65.96 -29.72 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.7 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.55 -24.17 34.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -106.97 28.31 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 641' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' B' ' 652' ' ' TYR . 7.5 mm100 -61.27 -46.06 91.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.9 p -55.46 -26.35 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -80.5 -26.45 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -53.29 147.83 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -95.18 -72.03 0.64 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.9 -19.66 43.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.02 26.21 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.2 p -118.92 -29.76 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.54 -88.22 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.839 HD12 HG21 ' A' ' 71' ' ' VAL . 60.1 mt -84.34 143.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.51 174.1 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 652' ' ' TYR . . . . . 0.418 ' HB2' ' NE2' ' B' ' 641' ' ' GLN . 55.9 p90 -65.05 -38.84 92.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -73.75 -42.57 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 654' ' ' ALA . . . . . 0.665 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.23 -42.38 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -62.0 -40.92 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -55.98 26.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.07 71.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.665 HE21 ' HB1' ' B' ' 654' ' ' ALA . 61.9 mt-30 -56.11 -48.71 75.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -51.96 -59.28 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.3 -54.27 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -56.88 -27.39 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -74.54 -54.59 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.441 ' HB3' ' HE3' ' B' ' 663' ' ' MET . 75.5 mmm -57.85 -35.54 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -58.56 -56.01 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.72 -27.71 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.884 HD22 HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -63.81 -47.88 79.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' B' ' 627' ' ' GLN . 22.7 m -73.99 -30.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -67.08 -31.06 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.77 -51.74 67.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.06 -40.05 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -21.23 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 672' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.92 -38.56 62.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -77.38 -35.42 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.01 -32.34 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.81 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -65.22 -38.11 89.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.38 -47.04 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.93 -50.11 54.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -32.36 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.68 ' HE3' HD12 ' B' ' 629' ' ' LEU . 0.7 OUTLIER -53.06 -58.78 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.761 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -53.79 -31.45 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -75.37 -36.22 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -46.16 76.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.8 mp -73.24 -52.6 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.51 -45.17 67.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -73.16 -35.71 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -46.34 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.837 -179.872 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.8 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.753 0.311 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.89 -54.15 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -32.15 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.77 -33.79 52.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -71.74 -34.67 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.89 65.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -64.99 -38.81 92.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.447 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -65.72 -54.77 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.3 -33.3 47.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.69 90.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.42 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.54 46.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.75 -30.95 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.5 OUTLIER -74.51 -46.95 35.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.916 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.909 HG21 HD22 ' B' ' 666' ' ' LEU . 20.6 t -66.18 -39.6 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -47.56 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.74 -34.18 77.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' B' ' 658' ' ' GLN . 51.8 mt -76.25 -27.1 56.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.479 HD11 ' SD ' ' A' ' 25' ' ' MET . 8.2 mt -72.66 -30.15 64.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.34 -52.34 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.968 HG21 HD12 ' B' ' 650' ' ' ILE . 33.1 m -58.76 -33.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.1 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.652 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 31.0 mt-30 -71.68 -34.13 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.19 -36.63 77.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -80.99 -40.58 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.496 HD13 HD12 ' B' ' 640' ' ' LEU . 54.3 mt -72.78 -30.47 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.95 -72.46 1.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -52.08 -36.39 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.838 0.351 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.1 -42.29 61.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.424 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -64.24 -37.39 87.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.32 -33.09 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -70.12 -27.74 72.53 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -55.69 -36.74 67.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.14 -36.38 79.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -46.9 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -30.49 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.68 HD12 ' HE3' ' A' ' 25' ' ' MET . 0.6 OUTLIER -67.37 -38.09 84.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.14 -47.12 75.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.31 -38.37 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -44.01 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.26 -37.22 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.4 -49.73 75.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 631' ' ' ALA . 97.3 t -56.78 -51.38 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.59 -37.17 62.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -31.9 63.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.47 -24.66 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.16 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.496 HD12 HD13 ' A' ' 76' ' ' LEU . 10.7 mt -108.1 31.66 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 641' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' B' ' 652' ' ' TYR . 14.2 mm100 -59.01 -48.79 80.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.2 m -55.67 -25.98 42.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.61 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -52.15 147.04 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -94.33 -71.19 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.91 -19.87 40.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.413 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.11 25.95 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 14.0 p -119.79 -30.96 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.84 -98.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.572 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.968 HD12 HG21 ' A' ' 71' ' ' VAL . 58.1 mt -74.07 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.56 172.13 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 652' ' ' TYR . . . . . 0.421 ' HB2' ' NE2' ' B' ' 641' ' ' GLN . 55.9 p90 -64.62 -38.87 92.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.76 -41.22 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.96 -43.8 74.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -61.52 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.06 -55.89 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.96 -41.85 81.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.448 ' HB3' HD11 ' A' ' 68' ' ' LEU . 21.1 mt-30 -56.23 -44.12 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -64.36 -56.4 14.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -51.07 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -59.71 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 662' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -59.55 -54.48 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.732 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -54.53 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.895 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.26 -55.85 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.13 -28.48 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.909 HD22 HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -66.23 -36.84 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 663' ' ' MET . 40.6 t -73.49 -51.38 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.88 -30.73 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.62 51.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.69 -54.51 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -55.95 -25.48 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.72 63.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 -179.977 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.793 0.33 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 72' ' ' ALA . 74.4 t80 -73.93 -41.51 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.87 64.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -76.7 -27.13 55.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.73 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.84 -27.17 73.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -27.63 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -58.71 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -57.89 -25.69 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -72.35 -41.26 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -59.76 -49.12 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.631 HG13 HD21 ' B' ' 626' ' ' LEU . 4.8 mp -73.08 -46.52 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -45.72 68.13 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.96 -34.29 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.931 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.72 0.295 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -56.17 -54.04 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.38 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HB1' ' CG ' ' B' ' 673' ' ' MET . . . -78.13 -36.67 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -65.16 -35.48 81.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.47 -30.93 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -65.91 -36.9 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -67.65 -54.91 15.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.78 -33.76 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.88 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -36.63 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.79 -34.48 53.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.06 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 4.3 tmtp? -73.56 -48.59 31.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.965 HG21 HD22 ' B' ' 666' ' ' LEU . 21.3 t -68.63 -36.61 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -46.46 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 71' ' ' VAL . 96.7 m -64.92 -52.03 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.7 mt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.543 HD21 HD13 ' B' ' 633' ' ' ILE . 5.5 mt -57.04 -40.69 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -79.67 -34.69 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 67' ' ' THR . 58.2 t -61.36 -43.48 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . . . -51.77 -43.79 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.651 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 68.1 mt-30 -65.43 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.405 HD21 HG12 ' A' ' 71' ' ' VAL . 27.0 m-80 -73.18 -34.71 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.78 -25.52 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.71 -45.1 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.651 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.903 0.383 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.91 -50.68 49.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -56.32 -49.24 74.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.499 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.86 53.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -61.61 -29.37 70.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.067 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.631 HD21 HG13 ' A' ' 29' ' ' ILE . 10.3 mp -67.8 -42.47 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -68.76 -35.29 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 47.5 t -76.1 -53.15 8.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.409 HD12 ' O ' ' B' ' 629' ' ' LEU . 10.8 tp -64.55 -44.27 91.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.55 55.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.411 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.64 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.42 -37.82 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.543 HD13 HD21 ' A' ' 69' ' ' LEU . 65.9 mt -73.34 -33.12 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.18 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.6 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.36 -31.34 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -52.74 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -29.67 70.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.59 61.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.77 -27.81 33.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -99.56 25.78 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -53.35 -52.83 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -26.38 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.92 -24.25 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -55.6 135.69 50.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -109.66 111.92 23.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -83.08 4.6 80.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 18.96 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.75 -31.16 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.69 -119.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.644 HD12 HG11 ' A' ' 71' ' ' VAL . 60.8 mt -53.69 143.03 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.77 169.84 9.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -62.66 -40.14 96.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.8 -42.89 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.68 91.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -64.58 -51.11 64.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -51.91 -30.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -91.44 -25.22 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -76.23 -52.12 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -55.51 -53.11 60.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -57.8 -57.41 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -52.13 -47.49 65.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 662' ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -60.87 -54.36 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.746 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.1 OUTLIER -51.46 -38.8 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.3 -56.02 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.39 -28.38 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.965 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.76 -37.34 87.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 663' ' ' MET . 46.2 t -72.92 -48.29 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -51.83 -30.78 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.81 62.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.499 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 33.4 t80 -81.22 -58.25 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -55.27 -35.92 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.49 -48.35 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 673' ' ' MET . . . . . 0.403 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 2.3 ttp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -58.66 -44.27 90.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.77 -42.12 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -26.1 60.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -71.01 -50.44 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.34 -28.74 73.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.15 -26.3 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.401 ' HE3' ' HG ' ' B' ' 629' ' ' LEU . 0.1 OUTLIER -55.78 -58.74 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.832 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -57.35 -25.22 59.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.98 -25.78 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -73.02 -46.47 51.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.538 HG23 ' CE1' ' A' ' 58' ' ' PHE . 4.7 mp -73.03 -47.5 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.893 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.65 -47.18 64.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -72.94 -39.85 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.82 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.942 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.94 -54.07 51.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.4 60.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -66.09 -36.28 82.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -30.95 65.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -63.48 -41.87 98.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.538 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.3 t80 -62.69 -54.7 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.49 -32.69 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.12 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.31 -35.21 41.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -53.07 -31.55 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.02 -29.54 70.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.2 tmtp? -74.55 -52.5 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.6 p -66.6 -31.62 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.48 -53.47 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 m -55.28 -49.32 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 64' ' ' LYS . 27.8 mt -51.92 -40.23 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 22' ' ' ALA . 2.8 mt -59.37 -37.02 76.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.72 -32.61 62.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 67' ' ' THR . 41.4 t -74.95 -33.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.76 90.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.661 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 56.6 mt-30 -68.9 -34.47 75.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.4 -35.29 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -76.95 -36.6 56.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -30.97 41.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.49 -64.17 3.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -44.81 66.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.805 0.336 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.0 -33.73 44.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.79 -48.73 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.696 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -54.97 -34.88 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.03 -24.44 35.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -35.07 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.422 HD22 ' N ' ' B' ' 626' ' ' LEU . 3.3 mm? -68.09 -37.02 80.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 627' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 631' ' ' ALA . 21.7 tt0 -69.72 -39.22 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -53.16 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.401 ' HG ' ' HE3' ' A' ' 25' ' ' MET . 12.1 tp -61.49 -52.62 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.4 87.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' B' ' 627' ' ' GLN . . . -57.8 -41.14 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.85 -31.78 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.577 HD13 HD21 ' A' ' 69' ' ' LEU . 80.6 mt -73.14 -35.0 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.98 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.41 -32.37 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.26 -50.99 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.69 -29.82 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.19 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.6 -25.26 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.94 26.46 8.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -54.84 -44.03 73.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -62.31 -26.75 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.68 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -52.41 148.76 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -92.56 -64.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.73 -28.99 13.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -99.61 25.78 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 57.8 p -126.92 24.59 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.34 -107.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.78 143.83 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.11 175.5 5.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -66.54 -38.21 86.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.47 -41.3 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.65 69.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -60.96 -43.9 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.45 -55.91 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.41 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.19 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.93 -51.67 55.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.88 -53.36 41.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -53.44 -46.86 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.88 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.677 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.3 OUTLIER -52.84 -57.8 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -52.27 -35.7 50.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -64.97 -48.98 72.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 663' ' ' MET . 3.4 mt -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 663' ' ' MET . 18.2 t -62.01 -51.27 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.04 -27.45 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.696 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 6.7 t80 -85.61 -58.26 2.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.89 -27.4 51.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.9 -50.47 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 5.5 tmm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.547 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 56.8 t80 -56.35 -48.8 76.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.88 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -77.14 -35.97 55.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.592 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -53.49 -50.67 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.58 -25.52 70.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.565 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.67 -30.07 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.586 ' HE2' HD22 ' B' ' 629' ' ' LEU . 31.5 tpp -53.45 -58.97 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -57.93 -24.79 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 m -51.91 -41.89 62.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.8 mp -73.04 -48.37 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.56 -45.74 66.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.526 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -36.73 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.22 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.962 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.1 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.82 0.343 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -54.2 -54.11 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.04 37.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.51 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -74.05 -39.14 63.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.89 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -66.05 -37.06 84.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CD2' ' HB3' ' B' ' 669' ' ' ALA . 3.4 t80 -67.44 -54.83 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.98 -33.67 42.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.38 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -33.16 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -51.56 -31.49 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.18 92.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -60.13 -52.59 64.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' B' ' 666' ' ' LEU . 7.3 p -64.89 -36.43 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -44.64 90.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 m -65.98 -50.25 64.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.456 HD11 ' HD2' ' A' ' 64' ' ' LYS . 54.3 mt -51.58 -34.35 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.592 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -55.47 -54.9 38.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.872 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.0 -40.15 80.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.409 HG11 ' HB ' ' B' ' 650' ' ' ILE . 21.6 t -67.4 -32.89 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.84 -50.29 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 57.0 mt-30 -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.95 -52.5 28.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -63.51 -33.92 76.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.43 HD13 HD12 ' B' ' 640' ' ' LEU . 44.1 mt -79.66 -25.96 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.51 1.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -52.05 -44.97 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.84 0.352 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -39.68 56.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -57.07 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.547 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -55.93 -40.62 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.0 -26.89 28.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.6 m -68.6 -42.0 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 0.0 111.113 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.35 -45.02 85.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 627' ' ' GLN . . . . . 0.535 ' CB ' HG11 ' B' ' 667' ' ' VAL . 6.2 tt0 -55.07 -44.35 74.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.1 t -65.24 -52.81 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.586 HD22 ' HE2' ' A' ' 25' ' ' MET . 0.9 OUTLIER -55.49 -41.48 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.93 49.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -64.0 -35.83 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 111.046 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.81 -42.97 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.17 -32.72 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.96 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.054 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 631' ' ' ALA . 75.6 t -56.62 -51.49 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -53.63 -36.98 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -31.62 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.72 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.79 -24.57 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 76' ' ' LEU . 11.9 mt -106.33 25.73 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -52.04 -48.18 64.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.7 p -55.62 -26.27 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.67 -31.68 32.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -52.05 149.18 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -93.7 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.31 -24.25 26.12 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.95 26.14 4.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 35.5 p -115.82 -27.53 7.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.11 -73.1 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.409 ' HB ' HG11 ' A' ' 71' ' ' VAL . 62.2 mt -95.57 127.28 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.52 160.6 22.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -51.98 -41.79 62.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.95 -42.67 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.55 94.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -64.78 -51.99 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -29.97 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.75 -47.84 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -59.0 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.463 ' CZ3' HG23 ' A' ' 65' ' ' VAL . 68.4 t-105 -52.01 -43.92 63.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.99 -51.45 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.02 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.47 46.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.806 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.7 OUTLIER -53.32 -51.4 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -32.98 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.94 -42.41 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' B' ' 663' ' ' MET . 8.9 mt -60.77 -54.91 39.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.535 HG11 ' CB ' ' B' ' 627' ' ' GLN . 25.3 m -60.43 -37.48 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -70.38 -33.75 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.12 -51.36 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.547 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 30.6 t80 -53.59 -48.15 69.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 672' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -53.29 -30.37 38.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 39.3 ttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.912 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.777 0.323 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.96 -50.69 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.92 64.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.06 76.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -38.48 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.72 76.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.33 -31.47 68.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.11 -25.7 58.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.5 ' HA ' HD13 ' B' ' 629' ' ' LEU . 1.3 ttm -59.7 -58.93 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -52.07 -39.08 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.06 -41.75 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.0 m -70.85 -41.83 70.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.652 HD13 ' CD1' ' B' ' 626' ' ' LEU . 40.5 mm -53.0 -45.09 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.48 -36.19 54.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -34.04 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.8 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.92 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.04 -54.01 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.48 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.87 -39.13 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -63.14 -35.62 80.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.92 65.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.7 -41.64 98.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.504 ' HE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -63.07 -54.81 32.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.95 -32.93 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -41.47 27.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.427 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -51.77 -31.5 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.61 -35.66 77.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HG3' ' HB2' ' B' ' 662' ' ' ALA . 2.7 tptm -69.26 -53.44 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.755 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.4 p -57.5 -45.64 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -60.53 -41.16 93.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 71' ' ' VAL . 24.4 m -67.44 -26.98 66.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 65' ' ' VAL . 38.5 mt -69.59 -44.84 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -55.31 -40.4 71.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 67' ' ' THR . 85.2 t -76.05 -47.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.94 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.623 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 60.5 mt-30 -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.01 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -81.16 -38.78 26.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' B' ' 640' ' ' LEU . 96.4 mt -78.13 -26.35 47.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.13 -72.53 2.28 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.91 -40.19 60.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.02 -34.56 46.72 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -53.04 -53.56 48.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.47 43.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -60.35 -24.23 61.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 41.2 m -75.67 -41.01 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.86 0.362 . . . . 0.0 111.174 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.652 ' CD1' HD13 ' A' ' 29' ' ' ILE . 3.8 mm? -65.79 -53.99 32.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -32.4 65.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 8.6 t -72.61 -36.5 68.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -74.35 -51.3 15.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.97 -44.18 61.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -62.88 -40.79 98.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.91 -40.05 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.24 -46.75 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.63 -33.8 64.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 631' ' ' ALA . 69.1 t -77.34 -31.22 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.13 -52.79 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.72 -29.75 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.7 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.32 29.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.494 ' CD1' HD13 ' A' ' 76' ' ' LEU . 9.4 mt -99.55 26.8 5.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -60.89 -45.48 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -26.59 66.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.81 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -52.6 149.42 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -94.19 -64.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.48 -19.19 42.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.57 25.83 11.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 21.7 p -126.91 24.54 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.47 -115.79 2.6 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.18 144.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.357 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 651' ' ' THR . . . . . 0.421 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -97.84 171.81 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 652' ' ' TYR . . . . . 0.421 ' H ' HG22 ' B' ' 651' ' ' THR . 55.6 p90 -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -74.07 -42.73 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 654' ' ' ALA . . . . . 0.492 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -67.14 -39.91 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -65.43 -47.27 76.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.45 -51.45 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.6 -41.03 72.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.492 HE21 ' HB1' ' B' ' 654' ' ' ALA . 33.0 mt-30 -56.17 -52.95 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.44 ' HE3' HD13 ' A' ' 68' ' ' LEU . 61.5 t-105 -52.13 -56.52 14.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.65 -40.12 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -64.58 -38.85 92.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 662' ' ' ALA . . . . . 0.53 ' HB2' ' HG3' ' A' ' 64' ' ' LYS . . . -73.4 -54.71 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.746 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.2 OUTLIER -53.8 -47.48 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.96 -34.0 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -73.07 -32.71 65.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' B' ' 663' ' ' MET . 9.4 mt -70.96 -54.15 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 668' ' ' ARG . 14.7 m -51.94 -44.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 668' ' ' ARG . . . . . 0.412 ' N ' HG23 ' B' ' 667' ' ' VAL . 15.3 ptt180 -70.7 -30.89 67.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.13 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -82.52 -56.36 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -61.56 -31.41 71.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -66.9 -49.73 64.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 8.4 tmm? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.96 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.74 -51.18 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.46 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.55 90.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -33.58 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.7 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.71 93.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD23 HD22 ' B' ' 629' ' ' LEU . 0.4 OUTLIER -65.35 -26.04 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.486 ' HE3' ' HG ' ' B' ' 629' ' ' LEU . 0.0 OUTLIER -58.76 -58.7 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.869 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.44 -25.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -68.56 -48.89 63.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.421 HG21 HD23 ' B' ' 626' ' ' LEU . 1.2 m -54.58 -54.2 44.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.699 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.8 mp -66.51 -48.44 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.09 -47.03 68.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -73.15 -48.85 31.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.1 -27.75 54.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.87 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -63.96 -54.01 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.18 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.11 -35.93 48.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -63.67 -33.52 75.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.63 68.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -66.2 -37.96 86.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.699 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 77.9 t80 -66.92 -54.84 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.55 -32.43 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.69 77.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.35 -38.49 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.12 59.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.05 -30.56 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.5 OUTLIER -66.95 -52.53 41.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.528 HG21 HD13 ' B' ' 666' ' ' LEU . 17.1 t -64.32 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.6 -48.82 75.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 71' ' ' VAL . 92.3 m -58.12 -51.79 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.34 -35.65 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.17 -40.9 78.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.15 -32.62 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 67' ' ' THR . 61.5 t -70.96 -36.14 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.01 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 37.0 mt-30 -69.79 -36.6 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 -32.96 73.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.03 -39.32 34.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.39 -31.25 67.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.21 -62.22 3.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -52.13 -39.29 59.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.856 0.36 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.01 93.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -53.29 -50.39 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -68.18 -33.99 75.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.067 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.12 -25.09 45.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 93.7 m -69.75 -30.0 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.628 HD13 HD21 ' B' ' 666' ' ' LEU . 90.8 mt -67.46 -39.97 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.53 -37.18 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 12.4 t -76.2 -53.19 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.486 ' HG ' ' HE3' ' A' ' 25' ' ' MET . 12.7 tp -64.12 -52.29 59.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.89 -46.75 54.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.608 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -58.18 -36.89 73.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.072 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.49 -36.05 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.53 -45.23 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.31 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 631' ' ' ALA . 80.1 t -77.43 -31.2 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.16 -52.83 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -29.7 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.73 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.61 -25.17 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.0 mt -100.7 27.57 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.69 -39.7 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.5 m -66.24 -26.62 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.22 57.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -52.61 145.74 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -91.38 -64.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 90.93 19.68 42.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.17 26.18 3.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 58.1 p -119.4 -30.93 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.85 -71.44 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.405 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.402 HD12 HG11 ' A' ' 71' ' ' VAL . 61.2 mt -99.8 144.12 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.04 172.9 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.57 -38.39 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -73.47 -41.16 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.63 -48.53 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -54.42 -47.13 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -54.83 -26.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.78 -44.72 9.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -57.95 -51.51 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -52.01 -59.11 4.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -57.32 -51.96 67.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.9 -31.29 39.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 662' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.41 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.456 ' O ' HG23 ' B' ' 667' ' ' VAL . 1.4 mmt -53.71 -30.26 42.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.33 -56.28 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -76.17 -32.89 59.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.628 HD21 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -65.2 -34.24 77.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.914 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 663' ' ' MET . 5.9 t -70.3 -52.59 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -68.12 -30.33 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -35.23 66.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 52.5 t80 -85.55 -53.14 5.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -52.07 -44.99 64.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -63.48 -46.89 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.0 tmm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -52.86 -51.75 59.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.07 86.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -35.67 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -36.68 57.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -58.28 -40.24 81.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.41 60.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -26.13 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.5 tpp -63.15 -58.45 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -55.66 -26.08 42.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -70.07 -32.25 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -70.06 -41.74 73.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.5 mp -73.02 -46.52 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -46.09 84.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -72.91 -41.84 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.85 69.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 -179.885 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.3 t80 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.73 -53.98 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -35.66 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HB1' ' HG3' ' B' ' 673' ' ' MET . . . -78.04 -33.26 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -70.95 -33.41 70.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.18 -31.13 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.98 -43.67 98.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.22 -54.53 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -61.36 -32.42 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.66 -33.04 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' B' ' 666' ' ' LEU . . . -79.41 -39.19 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.66 -31.27 24.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.96 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.705 ' HG2' ' HB2' ' B' ' 662' ' ' ALA . 0.0 OUTLIER -73.5 -52.62 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.409 HG13 ' CH2' ' B' ' 659' ' ' TRP . 32.9 t -54.28 -36.76 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.69 -44.66 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.0 m -60.09 -38.33 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.4 -28.4 56.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 HD13 ' B' ' 633' ' ' ILE . 10.6 mt -63.49 -37.55 87.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.88 -37.28 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 67' ' ' THR . 91.8 t -70.31 -34.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.56 -50.08 70.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 58.9 mt-30 -71.63 -34.03 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.27 74.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.3 -40.41 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.66 -32.89 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.76 -64.04 3.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -52.02 -35.21 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.77 -43.5 94.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.1 -45.99 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -65.65 -54.65 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.03 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.58 -25.03 33.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 78.2 m -62.1 -33.61 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 626' ' ' LEU . 4.1 mm? -64.23 -48.56 75.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 627' ' ' GLN . . . . . 0.644 ' HB2' HG21 ' B' ' 667' ' ' VAL . 5.0 tm0? -61.74 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -48.23 82.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.78 -51.57 54.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.21 -31.67 34.65 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.62 69.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.78 -37.98 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.552 HD13 HD21 ' A' ' 69' ' ' LEU . 51.0 mt -73.53 -33.86 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -65.12 -53.65 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.6 -40.39 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.24 -37.06 85.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -31.89 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.2 -24.66 59.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.17 -24.63 34.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 15.4 mt -106.67 39.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -66.75 -44.95 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.8 m -55.43 -26.27 40.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.34 -33.37 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -52.92 139.12 28.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -87.66 -58.85 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.19 -22.03 36.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -98.74 26.51 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 15.2 p -112.68 -30.31 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 168.08 -80.28 0.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.465 HD12 HG11 ' A' ' 71' ' ' VAL . 60.2 mt -85.4 143.72 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.7 174.32 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.43 -38.75 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 653' ' ' GLN . . . . . 0.414 ' OE1' ' HB2' ' B' ' 654' ' ' ALA . 0.0 OUTLIER -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 654' ' ' ALA . . . . . 0.414 ' HB2' ' OE1' ' B' ' 653' ' ' GLN . . . -68.69 -44.58 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -59.77 -48.43 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.27 -55.24 36.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -57.17 -54.02 51.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -56.11 -52.75 63.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.427 ' O ' ' HB3' ' B' ' 662' ' ' ALA . 54.2 t-105 -51.86 -56.23 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -50.98 -57.6 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.36 -26.87 61.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 662' ' ' ALA . . . . . 0.705 ' HB2' ' HG2' ' A' ' 64' ' ' LYS . . . -71.28 -54.51 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.49 ' O ' HG23 ' B' ' 667' ' ' VAL . 60.7 mmm -58.88 -44.2 91.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -68.03 -32.14 72.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -66.25 -53.91 31.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -67.29 -34.24 76.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' B' ' 627' ' ' GLN . 2.5 t -56.31 -47.22 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -70.37 -31.55 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.69 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 41.0 t80 -78.45 -55.18 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -51.99 -30.09 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.12 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 673' ' ' MET . . . . . 0.454 ' HG3' ' HB1' ' A' ' 54' ' ' ALA . 40.6 mtp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.21 -48.59 72.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.76 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.63 -31.76 69.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -49.67 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.591 ' CB ' HD22 ' A' ' 69' ' ' LEU . . . -54.09 -42.23 69.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -25.66 72.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.85 55.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.588 ' HB2' HD11 ' B' ' 633' ' ' ILE . 44.1 tpp -64.39 -57.53 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -55.72 -25.86 42.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.488 ' CG2' HD12 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -64.47 -50.21 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.917 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.693 HG13 HD21 ' B' ' 626' ' ' LEU . 4.1 mp -66.99 -48.31 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -47.13 65.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -72.96 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -27.87 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.903 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.34 -54.09 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.41 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -64.4 -36.36 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.61 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.61 -35.5 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 89.7 t80 -69.03 -54.83 13.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.73 -32.38 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.03 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.85 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.41 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.13 79.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 3.9 tmtp? -61.85 -40.88 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.967 HG21 HD22 ' B' ' 666' ' ' LEU . 18.5 t -71.42 -46.01 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -63.29 -50.86 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -54.88 -51.94 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.5 mt -51.92 -43.39 63.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.591 HD22 ' CB ' ' A' ' 22' ' ' ALA . 18.5 mt -58.99 -34.13 71.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -32.15 61.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.532 HG11 HD12 ' B' ' 650' ' ' ILE . 94.0 t -75.49 -51.13 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB2' ' NE1' ' B' ' 655' ' ' TRP . . . -51.62 -50.77 59.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.482 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 94.5 mt-30 -57.99 -33.45 68.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.48 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -71.58 -14.99 62.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -24.89 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.16 -88.22 0.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.571 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -52.08 -31.15 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.824 0.345 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.57 -50.14 54.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -57.18 13.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.947 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -52.92 -43.27 66.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.2 -26.71 29.47 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 60.9 m -59.57 -48.49 81.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.717 ' CD2' HD11 ' B' ' 666' ' ' LEU . 9.2 mp -57.74 -43.32 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -47.49 66.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.1 m -76.02 -30.97 58.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -51.43 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.16 94.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 631' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.26 -42.18 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.93 -38.97 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 25' ' ' MET . 65.2 mt -73.27 -45.02 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.11 75.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 635' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 631' ' ' ALA . 92.7 t -71.78 -31.27 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.97 -52.73 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -68.38 -30.88 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -55.23 -27.53 46.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.29 41.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.05 23.5 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -55.08 -40.01 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.7 m -70.25 -19.09 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.85 -13.33 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -51.49 151.02 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -105.72 -33.98 7.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.02 27.94 23.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.19 16.93 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 19.5 p -121.04 -31.28 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 164.37 -84.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.532 HD12 HG11 ' A' ' 71' ' ' VAL . 57.3 mt -64.52 139.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 111.024 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 651' ' ' THR . . . . . 0.445 ' H ' ' HB3' ' B' ' 654' ' ' ALA . 0.3 OUTLIER -95.9 160.71 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -51.21 -45.01 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -75.19 -41.95 56.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 654' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' B' ' 651' ' ' THR . . . -57.03 -50.19 73.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 655' ' ' TRP . . . . . 0.47 ' NE1' ' HB2' ' A' ' 72' ' ' ALA . 29.0 t90 -54.2 -40.79 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.69 -55.96 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.36 -22.56 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.1 -52.68 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.452 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 58.1 t-105 -55.68 -52.2 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.59 -58.52 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -51.67 -45.34 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 662' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -62.56 -54.43 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.725 ' O ' HG23 ' B' ' 667' ' ' VAL . 36.3 tpp -51.57 -37.33 49.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.63 -56.04 27.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.91 -28.2 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.967 HD22 HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -65.97 -38.33 88.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.725 HG23 ' O ' ' B' ' 663' ' ' MET . 85.8 t -65.87 -51.32 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.839 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -65.55 -39.1 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.18 -25.24 46.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 670' ' ' TYR . . . . . 0.56 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 84.5 t80 -85.06 -54.96 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.94 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.8 ttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.992 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.811 0.339 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -64.05 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.95 83.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.97 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -39.55 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' HA ' HD11 ' A' ' 69' ' ' LEU . . . -54.12 -46.04 72.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.87 72.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.37 -31.23 62.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.516 ' HE2' HD22 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -63.89 -58.72 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.795 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.61 -29.22 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -67.21 -39.79 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.503 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.7 OUTLIER -65.17 -48.33 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.86 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.668 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.7 mp -67.18 -46.1 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.04 -45.63 93.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -73.1 -49.54 27.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.27 -27.74 66.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.71 -54.08 18.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.88 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.86 88.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -68.64 -40.31 80.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -66.37 -35.06 79.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.668 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 72.0 t80 -69.39 -54.86 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.96 -32.23 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.36 86.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.83 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.52 -31.54 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.33 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.4 OUTLIER -65.7 -53.09 45.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.001 HG21 HD22 ' B' ' 666' ' ' LEU . 24.0 t -56.88 -43.67 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.085 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.99 -45.72 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.0 m -62.77 -52.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.08 -34.06 76.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 22' ' ' ALA . 31.9 tp -62.32 -40.13 95.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.41 -41.74 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 67' ' ' THR . 67.1 t -54.23 -44.53 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.45 ' O ' HD12 ' A' ' 76' ' ' LEU . . . -52.12 -52.38 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.582 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 82.1 mt-30 -59.68 -41.67 91.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -27.07 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.64 -48.54 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' B' ' 640' ' ' LEU . 3.3 mp -71.09 -32.66 69.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.37 -58.25 4.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -35.03 42.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.805 0.336 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -59.26 -40.73 96.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -62.01 -38.14 87.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.13 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.44 -34.78 42.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 28.4 m -55.97 -44.69 78.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 111.15 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.406 ' CD1' HG22 ' A' ' 28' ' ' THR . 6.6 mp -68.29 -47.06 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -53.55 -36.86 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 49.0 m -76.21 -52.96 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 629' ' ' LEU . . . . . 0.516 HD22 ' HE2' ' A' ' 25' ' ' MET . 1.1 tt -54.21 -48.63 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.51 -45.96 53.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.46 -33.58 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.77 -42.13 75.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.541 HD13 ' CZ2' ' B' ' 659' ' ' TRP . 2.7 mp -73.35 -33.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.05 76.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.3 p -77.69 -30.95 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -52.85 62.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -29.42 68.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.866 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.51 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.63 -20.63 39.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 640' ' ' LEU . . . . . 0.506 ' HB2' HD21 ' A' ' 76' ' ' LEU . 18.9 mt -106.03 28.66 7.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -56.89 -25.6 57.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.34 20.22 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -119.71 -31.38 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -51.95 143.94 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -93.89 -55.78 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.67 -19.96 47.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.26 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.4 p -117.71 -29.92 5.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 165.88 -96.35 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.478 HD12 HG11 ' A' ' 71' ' ' VAL . 61.8 mt -70.66 142.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.75 164.71 14.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -59.63 -41.18 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.37 -42.88 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.29 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -66.36 -51.35 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.31 -29.72 24.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.83 -23.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -76.31 -52.87 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.541 ' CZ2' HD13 ' B' ' 633' ' ' ILE . 28.1 t-105 -55.97 -46.63 78.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -60.99 -57.97 10.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -54.28 -38.86 66.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 662' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -67.47 -54.51 19.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.754 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.9 -39.82 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.84 -55.83 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -70.2 -28.57 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 1.001 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -63.61 -39.08 93.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.754 HG23 ' O ' ' B' ' 663' ' ' MET . 22.1 t -73.59 -51.26 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -57.73 -32.14 67.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.35 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -73.81 -32.31 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -69.27 -22.42 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 51.6 ttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.984 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.727 0.298 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HB3' ' HB1' ' A' ' 79' ' ' ALA . 5.3 t80 -77.81 -46.88 20.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.43 -38.92 56.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.11 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -47.03 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 69' ' ' LEU . . . -56.03 -47.18 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.79 -26.91 26.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -30.01 30.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -58.92 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -23.86 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -72.86 -49.49 29.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.9 m -55.41 -51.79 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.601 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.2 mp -65.38 -47.42 87.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.91 -46.1 91.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -73.0 -53.11 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.94 -27.72 53.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.884 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -70.79 -54.03 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -39.75 57.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -66.46 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.54 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -67.43 -35.57 79.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.601 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 83.0 t80 -69.45 -54.89 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.53 -35.01 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.94 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.16 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.21 -31.62 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.07 86.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.543 ' HD2' HD11 ' A' ' 68' ' ' LEU . 5.7 tmtp? -54.47 -52.59 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.991 HG21 HD22 ' B' ' 666' ' ' LEU . 14.0 t -63.14 -52.69 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -31.89 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 71' ' ' VAL . 53.3 m -84.71 -27.68 26.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.543 HD11 ' HD2' ' A' ' 64' ' ' LYS . 33.4 mt -73.73 -36.9 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 22' ' ' ALA . 3.0 mm? -55.36 -55.08 35.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.99 -43.32 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 67' ' ' THR . 60.6 t -65.84 -32.97 60.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.28 -50.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.609 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 37.2 mt-30 -71.93 -39.5 69.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.65 63.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.66 -39.63 94.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.3 mt -70.88 -25.93 63.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.37 -74.57 1.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -45.18 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.625 ' HB1' ' HB3' ' A' ' 18' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.794 0.33 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.56 -49.75 59.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.5 -47.52 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.383 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 623' ' ' ALA . . . . . 0.659 ' HA ' HD23 ' B' ' 626' ' ' LEU . . . -52.48 -33.23 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.21 73.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 98.4 m -66.78 -29.08 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 626' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' B' ' 623' ' ' ALA . 3.9 mm? -59.91 -56.91 15.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.12 -41.56 81.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 36.0 m -59.47 -46.39 88.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.29 -43.7 55.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -45.14 55.9 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -54.39 -37.93 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.011 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -55.77 -35.84 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 633' ' ' ILE . . . . . 0.425 HD12 ' CZ2' ' B' ' 659' ' ' TRP . 87.7 mt -73.45 -36.19 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -64.33 -53.29 51.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.21 -40.4 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.19 -36.81 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -31.08 63.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.49 61.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.53 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 34.01 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 641' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' B' ' 652' ' ' TYR . 12.9 mm100 -65.25 -45.34 84.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.3 p -55.7 -25.99 42.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.21 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -52.34 149.93 5.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -98.91 -63.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.24 -19.47 54.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -86.66 -26.27 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.6 p -67.98 -30.59 69.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.02 -114.89 0.55 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 650' ' ' ILE . . . . . 0.5 ' HB ' HG11 ' A' ' 71' ' ' VAL . 54.9 mt -53.77 142.86 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.4 167.48 11.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 652' ' ' TYR . . . . . 0.423 ' HB2' ' NE2' ' B' ' 641' ' ' GLN . 52.7 p90 -61.45 -41.12 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.831 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.58 -42.82 58.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.79 96.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.5 t90 -62.69 -41.43 99.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.88 -55.84 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.14 -39.6 75.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 658' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' B' ' 650' ' ' ILE . 24.2 mt-30 -56.05 -52.84 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 659' ' ' TRP . . . . . 0.485 ' HZ3' HD22 ' A' ' 69' ' ' LEU . 31.6 t-105 -60.9 -47.82 84.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -57.72 -51.17 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.53 25.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 663' ' ' MET . . . . . 0.74 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -56.66 -42.24 78.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.15 -56.05 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -29.82 66.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 666' ' ' LEU . . . . . 0.991 HD22 HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -63.57 -42.1 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.874 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 667' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 663' ' ' MET . 40.2 t -66.37 -51.21 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.89 -35.07 77.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.13 -25.18 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -85.52 -57.8 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -58.83 -23.68 60.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.18 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.759 0.314 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -85.19 127.55 34.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.14 102.48 14.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 mt -97.77 108.09 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 63.31 84.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -130.69 -56.72 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -132.94 28.87 4.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 pt -98.43 152.47 37.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.34 0.112 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' H ' HG13 ' A' ' 12' ' ' VAL . 1.1 tt0 179.63 122.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 56.2 25.76 9.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.518 HG13 ' H ' ' A' ' 10' ' ' GLN . 27.9 m -90.15 -29.6 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.17 -44.05 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.049 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 m -54.76 -33.67 61.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -73.11 -25.53 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.19 92.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.84 -27.75 57.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.667 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 11.3 t80 -52.01 -51.75 55.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.78 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.86 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -45.74 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -45.47 72.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.08 -26.68 73.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.445 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -25.43 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.943 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.52 ' HE2' HD12 ' B' ' 629' ' ' LEU . 42.5 tpp -65.75 -57.55 7.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -27.0 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.74 -38.51 91.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -65.06 -41.92 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.7 mp -73.13 -48.56 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -46.76 66.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.7 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.72 -35.1 68.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -61.09 -38.28 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.42 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.66 -26.42 56.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.8 mtt -72.28 -52.74 14.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.5 p -52.17 -39.61 60.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.17 -26.88 60.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.21 -5.4 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' O ' ' C ' ' A' ' 42' ' ' PHE . . . -63.91 -9.51 15.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.542 ' C ' ' O ' ' A' ' 41' ' ' ALA . 38.0 m-85 -25.38 -71.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -116.93 -27.96 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 63.23 96.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.11 -101.18 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -168.42 -46.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -58.45 128.33 36.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -178.61 85.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.13 -49.89 9.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.8 -40.17 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -75.98 -34.33 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.75 -54.06 49.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -47.98 63.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.54 87.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -68.86 -38.86 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.88 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.6 -39.29 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.13 -54.82 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.89 -33.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.21 -34.79 42.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.84 -34.61 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.53 -31.42 66.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 5.2 tmtp? -74.6 -40.53 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.867 HG21 HD22 ' B' ' 666' ' ' LEU . 18.9 t -71.46 -44.08 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -64.73 -49.5 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -60.29 -33.34 72.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.427 ' HA ' HG22 ' A' ' 71' ' ' VAL . 39.7 mt -76.22 -26.6 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.725 HD21 HD13 ' B' ' 633' ' ' ILE . 13.7 mt -72.97 -30.16 63.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -77.03 -47.76 19.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.837 HG21 HD12 ' B' ' 650' ' ' ILE . 32.1 m -62.54 -34.46 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 68.0 mt-30 -71.72 -34.06 69.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.0 -35.56 72.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -81.15 -39.21 25.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.644 HD13 HD12 ' B' ' 640' ' ' LEU . 59.4 mt -75.88 -29.6 58.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.95 -75.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -51.96 -30.72 25.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.667 ' HB1' ' CD2' ' A' ' 18' ' ' PHE . . . -55.14 -53.76 51.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -176.05 162.2 2.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -129.17 87.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 t -147.42 171.02 16.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 111.137 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -152.17 165.3 35.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.3 t -143.86 78.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.158 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.05 68.62 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.74 -32.91 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.92 167.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -175.26 174.52 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.71 -28.51 26.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.23 -26.67 67.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.01 -26.18 68.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.66 -55.25 3.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 94' ' ' TYR . 0.3 OUTLIER 62.76 -179.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.403 ' H ' HG22 ' A' ' 93' ' ' THR . 54.7 p90 -165.05 153.96 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.2 p -137.71 135.52 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.47 -140.07 8.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 2.2 mtp -139.58 73.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 33.8 p -116.03 -24.79 7.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.8 10.82 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 28.7 mm -78.58 -69.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -161.74 49.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -122.74 70.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -60.52 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -130.34 160.55 65.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.728 0.775 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 78.73 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -80.66 -62.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -42.39 10.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' B' ' 680' ' ' ASN . 4.5 tp -55.63 135.82 50.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 111.77 -149.15 18.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.59 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.39 172.29 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -173.3 51.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 138.97 -138.84 9.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -136.92 72.84 1.43 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -38.49 26.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.51 -31.02 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.85 67.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.712 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -67.01 -54.79 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.57 -24.42 39.2 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 96.9 m -60.13 -34.6 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.25 -45.23 85.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -52.76 59.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 4.9 t -63.12 -34.12 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.52 HD12 ' HE2' ' A' ' 25' ' ' MET . 0.1 OUTLIER -63.56 -47.35 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.43 91.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.29 -32.05 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.55 -40.43 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.725 HD13 HD21 ' A' ' 69' ' ' LEU . 68.3 mt -73.36 -32.6 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.074 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.78 -39.62 80.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 13.3 p -77.46 -31.05 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.44 -52.9 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -60.21 -29.66 68.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.23 -24.68 67.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.62 37.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.644 HD12 HD13 ' A' ' 76' ' ' LEU . 7.7 mt -109.0 29.48 7.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.53 -45.75 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 25.0 p -55.37 -26.45 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.95 -27.28 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -54.77 146.33 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -93.46 -69.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.29 -19.98 46.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.68 26.27 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.2 p -118.8 -29.43 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.29 -91.98 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.837 HD12 HG21 ' A' ' 71' ' ' VAL . 58.1 mt -81.4 143.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.39 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.46 172.98 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -64.38 -39.26 93.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -73.94 -42.6 60.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 654' ' ' ALA . . . . . 0.672 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -67.57 -41.79 83.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -59.39 -56.03 27.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.71 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.672 HE21 ' HB1' ' B' ' 654' ' ' ALA . 60.0 mt-30 -56.14 -50.01 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -51.97 -59.28 4.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -52.95 -47.45 68.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -62.23 -27.41 68.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 662' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.98 -54.44 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.735 ' O ' HG23 ' B' ' 667' ' ' VAL . 80.7 mmm -57.14 -39.54 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.07 -56.09 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -70.71 -28.37 64.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.867 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 663' ' ' MET . 42.1 t -73.47 -51.24 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -52.36 -33.22 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.14 -28.55 58.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.712 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 41.7 t80 -85.7 -36.38 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -72.28 -19.07 61.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -48.22 67.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.044 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.27 -32.36 73.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.1 p -82.8 0.6 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 32.0 t -56.58 -24.98 51.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -11.88 60.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.164 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -51.3 -47.24 62.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -82.06 -17.01 48.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -58.54 -19.95 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 680' ' ' ASN . . . . . 0.559 ' HA ' HD23 ' B' ' 613' ' ' LEU . 27.4 t30 -57.22 -67.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 3.5 m -56.87 -23.38 44.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 6.8 ttm -50.2 -32.05 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.15 -31.54 31.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.9 ttt -72.73 148.39 44.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 6.7 ttp -94.18 -25.87 16.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.8 -45.64 63.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -74.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.02 89.03 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 28.4 p -114.93 -49.6 2.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -22.85 20.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.44 -60.85 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.78 -24.7 67.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.89 -26.49 27.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 164.21 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.08 26.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.988 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -98.41 -155.49 29.39 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -167.04 143.7 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.68 113.25 18.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.12 165.08 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 58.64 37.98 25.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -114.13 -44.64 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -150.98 47.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -96.74 152.47 38.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.72 81.82 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.419 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -108.12 -43.14 4.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -101.55 18.97 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.73 -26.83 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.7 68.9 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.08 -33.04 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -66.15 -34.76 78.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -113.02 89.0 2.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.03 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.6 -48.82 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . . . -59.83 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.78 67.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -40.12 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -59.28 -50.5 73.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.96 -25.73 75.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -32.96 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.3 tpp -55.58 -58.69 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -30.29 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -75.64 -29.12 59.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 m -74.09 -33.03 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.634 HD12 ' HE1' ' A' ' 58' ' ' PHE . 39.4 mm -61.0 -55.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.85 -39.07 96.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -58.53 -36.84 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 -45.84 58.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.11 -40.27 67.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -52.22 -34.95 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.93 91.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.26 -38.41 68.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.8 mtt -64.67 -30.99 72.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.2 t -67.54 -57.69 6.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.13 -25.81 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -85.16 -7.01 59.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.81 -23.08 67.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -51.76 136.34 27.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 51.96 55.35 9.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -63.73 116.1 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.11 -32.4 0.22 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -106.81 -175.47 2.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.839 0.352 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 p -141.83 155.34 45.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -112.47 127.52 56.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.12 -47.76 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.24 35.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.59 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.15 -54.06 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -45.72 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.73 -38.65 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -63.68 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.25 -31.01 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -63.6 -41.74 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.634 ' HE1' HD12 ' A' ' 29' ' ' ILE . 3.6 t80 -62.81 -54.7 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.45 -32.72 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -35.65 81.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.8 40.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.16 48.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.5 -30.77 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -71.41 -48.23 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.964 HG21 HD11 ' B' ' 666' ' ' LEU . 16.7 t -64.67 -33.64 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -46.33 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -65.75 -31.71 72.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' B' ' 658' ' ' GLN . 21.2 mt -74.11 -26.41 60.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 22' ' ' ALA . 19.1 mt -70.74 -30.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.6 -53.05 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.033 HG21 HD12 ' B' ' 650' ' ' ILE . 27.3 m -62.2 -32.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.21 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.659 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 46.6 mt-30 -71.7 -33.92 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.65 -34.76 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -81.09 -39.0 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.618 HD13 HD12 ' B' ' 640' ' ' LEU . 69.4 mt -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.87 -69.18 2.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.94 -37.12 51.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.24 -54.65 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -178.19 148.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -102.78 93.29 1.03 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.7 m -149.97 132.89 16.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.368 . . . . 0.0 111.072 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -137.4 169.0 18.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 84' ' ' VAL . 2.6 p -64.58 91.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.1 25.21 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.01 -24.91 15.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 63.11 171.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.79 178.8 5.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.16 -26.35 39.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.03 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.82 -34.16 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -145.65 92.22 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.52 176.32 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -115.78 -29.2 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.021 0.439 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.8 m 54.14 82.85 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.208 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.69 73.16 0.17 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.839 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 2.8 mtp -112.89 73.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 5.5 p -116.06 -24.8 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.78 10.83 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 28.6 mm -78.57 -69.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 21.0 ptp -161.77 49.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.79 95.49 4.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.05 -61.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.05 160.55 51.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -40.04 5.78 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.775 2.316 . . . . 0.0 112.287 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -53.85 -31.17 48.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 3.1 mmt -78.19 -44.53 25.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' B' ' 676' ' ' THR . 51.2 tp -65.46 -73.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -159.42 179.28 35.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.545 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -135.79 166.12 24.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 616' ' ' ALA . . . . . 0.456 ' HB1' ' HG2' ' B' ' 619' ' ' MET . . . -105.39 -75.59 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 85.81 31.19 21.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.22 -72.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.827 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 619' ' ' MET . . . . . 0.456 ' HG2' ' HB1' ' B' ' 616' ' ' ALA . 0.5 OUTLIER -64.31 -26.08 68.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 620' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' B' ' 616' ' ' ALA . . . -52.56 -30.99 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.03 -32.11 41.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -55.89 -56.32 22.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' B' ' 670' ' ' TYR . . . -53.69 -35.74 61.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.88 -25.81 31.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.3 m -64.67 -40.83 96.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.415 HD11 HD13 ' A' ' 29' ' ' ILE . 3.6 mm? -66.19 -38.14 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.59 -46.6 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.0 m -76.14 -41.91 48.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -52.83 60.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.67 -35.27 85.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.449 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.91 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.94 -39.06 84.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 5.9 mt -73.72 -35.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.48 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.34 -33.89 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -64.79 -37.38 87.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 637' ' ' GLN . . . . . 0.403 ' NE2' ' CE3' ' B' ' 655' ' ' TRP . 1.2 tm0? -66.6 -42.21 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.41 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -76.07 -24.6 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 76' ' ' LEU . 10.0 mt -114.28 38.96 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.46 -52.85 59.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.0 p -55.6 -26.08 41.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -52.52 143.9 14.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -90.22 -68.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.51 -26.17 24.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -96.56 26.16 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 47.0 p -119.58 -30.93 4.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.19 -110.02 0.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 1.033 HD12 HG21 ' A' ' 71' ' ' VAL . 57.5 mt -63.7 143.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 111.191 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.17 171.24 8.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.22 -38.81 92.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -73.63 -42.65 61.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.41 -48.27 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 655' ' ' TRP . . . . . 0.403 ' CE3' ' NE2' ' B' ' 637' ' ' GLN . 58.0 t90 -54.3 -49.11 70.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -51.64 -44.67 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.96 65.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.524 ' HB3' HD21 ' A' ' 68' ' ' LEU . 42.5 mt-30 -56.77 -51.73 67.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.437 ' HA ' HD13 ' A' ' 68' ' ' LEU . 51.0 t-105 -58.47 -54.96 41.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -51.62 -52.5 47.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.8 -47.39 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.828 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -51.28 -52.49 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -57.97 -33.27 68.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -70.81 -34.87 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.964 HD11 HG21 ' A' ' 65' ' ' VAL . 5.7 mt -71.19 -55.5 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.43 HG23 ' N ' ' B' ' 668' ' ' ARG . 15.4 m -52.92 -44.57 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 668' ' ' ARG . . . . . 0.43 ' N ' HG23 ' B' ' 667' ' ' VAL . 6.6 ptt180 -71.08 -32.3 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.98 68.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' B' ' 623' ' ' ALA . 39.2 t80 -85.56 -44.73 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -68.01 -25.64 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.62 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -52.68 -39.57 62.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.3 p -82.69 -32.71 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 29.6 t -64.32 -35.75 81.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.495 ' HA ' HD21 ' B' ' 613' ' ' LEU . 1.4 m -70.22 -14.93 62.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -53.65 -27.82 29.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.41 -21.19 59.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.7 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -51.7 -63.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.5 m -74.09 -30.33 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -31.03 63.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -55.83 -68.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 57.16 90.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -38.34 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.865 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -55.17 -53.12 59.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -66.12 -26.99 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -76.02 71.82 2.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 4.8 t -116.82 -30.54 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.28 -22.66 20.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.39 -60.92 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.86 -24.72 67.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.74 -25.35 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 157.35 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -85.47 109.05 18.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 99.35 -111.49 4.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.59 81.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.24 -175.6 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.02 153.04 42.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.487 ' HB3' HD11 ' A' ' 8' ' ' ILE . 23.6 m-20 58.91 31.25 21.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.71 -34.03 11.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -73.57 -35.72 65.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.487 HD11 ' HB3' ' A' ' 5' ' ' ASP . 19.6 pt -64.48 152.47 89.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 111.141 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 78.72 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.305 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -105.47 -48.81 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.25 24.52 9.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 m -83.45 -25.28 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -162.47 39.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.41 -56.0 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -49.18 76.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 p -172.77 127.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.95 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.056 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -61.04 -50.62 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.11 -38.41 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.78 -39.36 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.77 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -56.5 -50.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.22 -27.53 73.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -33.3 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ttm -60.99 -58.6 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -52.02 -36.61 50.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.23 -45.36 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -64.17 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.465 HG23 ' CE1' ' A' ' 58' ' ' PHE . 50.9 mm -67.15 -48.84 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.82 -32.09 81.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -39.78 66.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.29 -40.18 45.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.64 -52.65 64.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -58.69 -33.93 70.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.49 -39.71 70.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB1' ' CE ' ' B' ' 673' ' ' MET . . . -55.54 -64.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.7 ptp -61.64 -26.92 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -62.49 -62.07 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.77 -39.92 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -55.97 -25.12 42.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.16 -56.89 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 49.6 60.76 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 t60 63.42 47.5 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -140.68 -70.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.95 -87.3 0.18 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -176.86 122.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.59 112.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.2 t -174.42 132.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.99 -57.3 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.64 27.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -62.49 -34.42 76.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -56.68 -54.17 49.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.35 -40.91 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.59 -29.65 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -74.84 -33.39 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -63.23 -43.6 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.465 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.4 t80 -61.34 -54.55 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.13 -32.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.51 75.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -36.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -53.08 -31.53 42.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.42 70.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.1 tmtp? -74.53 -52.62 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.7 p -66.67 -31.51 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -70.75 -53.64 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.3 m -56.0 -40.33 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.441 HD11 ' HD2' ' A' ' 64' ' ' LYS . 34.2 mt -64.03 -35.55 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 22' ' ' ALA . 2.9 mt -61.84 -46.26 90.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -65.91 -38.87 89.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 67' ' ' THR . 59.0 t -66.27 -33.02 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.485 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 36.8 mt-30 -71.51 -34.31 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.2 -33.37 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.17 -38.35 56.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.17 -32.87 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.06 -55.5 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.03 -50.71 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.83 -70.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.06 152.64 39.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.31 84.19 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.5 t -154.32 171.25 19.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.687 0.279 . . . . 0.0 111.208 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -134.71 165.86 24.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.9 t -143.83 78.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.05 68.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.96 -32.18 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.88 174.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -124.82 171.05 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -88.68 -41.43 12.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.25 -27.76 62.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.41 92.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -82.43 98.18 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.62 168.23 24.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -128.04 141.0 51.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.08 159.35 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.76 97.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 119.361 -0.352 . . . . 0.0 110.909 -179.898 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.62 72.12 10.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 42.5 p -116.06 -24.37 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.81 10.86 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.68 -69.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 9.7 ptp -161.89 49.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -122.92 63.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -56.79 -42.56 79.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -130.41 160.48 65.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -18.46 37.39 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -56.27 -33.35 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 3.5 mtt -72.24 -48.53 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.925 HD13 ' HB1' ' B' ' 679' ' ' ALA . 0.6 OUTLIER -69.88 106.67 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 101.12 166.16 27.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.21 178.72 7.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.728 0.299 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -156.46 172.6 18.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 163.02 -156.3 27.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -116.25 30.72 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.45 -27.88 37.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -60.56 -31.05 70.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.06 90.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -37.46 83.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.43 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.99 -36.22 66.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.5 m -55.8 -44.85 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.88 -40.02 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -52.61 -51.17 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 31.3 t -76.06 -30.45 58.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -52.65 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.06 -37.64 94.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.702 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.38 -36.44 61.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.09 -34.83 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.23 -38.61 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 631' ' ' ALA . 87.2 t -75.21 -31.58 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.87 -52.07 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -60.67 -29.73 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.26 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.77 -25.41 44.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.35 27.11 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -53.13 -43.21 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.1 p -62.09 -26.52 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.31 -32.56 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.66 135.52 34.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.48 -69.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.99 -20.1 46.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -96.01 26.06 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 12.1 p -119.63 -30.94 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.43 -98.38 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.33 143.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.47 176.28 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -67.14 -38.49 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -73.52 -40.23 64.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.01 65.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -59.69 -42.23 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -58.65 -55.95 28.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.2 -52.52 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.403 ' HA ' HD13 ' A' ' 68' ' ' LEU . 65.7 t-105 -52.01 -52.87 47.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -51.87 -51.84 53.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -54.2 -46.15 72.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -57.02 -54.17 49.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.81 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -52.69 -54.49 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -33.11 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -71.0 -47.67 57.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' B' ' 663' ' ' MET . 4.4 mt -58.46 -42.56 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 663' ' ' MET . 21.5 t -62.12 -44.42 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -70.31 -34.53 72.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.83 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -72.59 -57.63 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.98 -18.25 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.12 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 673' ' ' MET . . . . . 0.476 ' CE ' ' HB1' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -55.15 -31.73 61.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -23.91 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 13.5 t -56.88 -24.13 49.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.751 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -17.19 57.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -55.52 -25.9 39.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.93 -30.03 22.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.925 ' HB1' HD13 ' B' ' 613' ' ' LEU . . . -51.72 -30.03 20.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -55.21 37.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.8 p -74.1 -27.69 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 11.8 mtm -52.09 -30.02 24.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -55.94 -57.53 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 63.2 mtp -53.23 115.42 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 3.7 mtt -73.87 -31.19 63.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -57.69 -39.21 76.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -30.33 52.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.03 111.07 21.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.3 p -129.56 -73.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -59.5 -24.93 64.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.08 -60.89 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.19 -24.74 67.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.4 -24.77 25.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.11 179.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -93.23 170.79 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -162.0 -85.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.481 -179.882 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.774 0.321 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -177.04 111.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.818 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.19 86.35 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -97.15 -41.99 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -129.64 38.84 3.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.14 -38.21 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -129.25 65.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -120.56 152.42 55.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 76.6 1.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -75.88 169.43 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.25 18.33 10.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 10' ' ' GLN . 48.8 t -112.74 -53.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.38 27.0 6.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.007 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -36.42 55.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -45.43 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 p -167.78 103.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.91 -26.76 14.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' HB3' ' HB1' ' A' ' 79' ' ' ALA . 9.8 t80 -64.62 -51.71 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -38.47 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 -44.02 51.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.487 ' CB ' HD22 ' A' ' 69' ' ' LEU . . . -58.64 -45.03 90.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.37 70.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.476 HD23 HD22 ' B' ' 629' ' ' LEU . 0.9 OUTLIER -78.08 -25.89 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.844 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.413 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -59.86 -58.69 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.96 -26.1 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -70.12 -31.48 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.415 ' CG2' HD23 ' B' ' 626' ' ' LEU . 4.0 m -68.41 -42.79 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.497 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.09 -49.52 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.76 65.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -72.93 -34.03 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.37 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -60.58 -46.14 91.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -33.93 40.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.02 91.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.09 -64.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.067 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.2 ptp -58.33 -27.88 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -63.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.61 -25.01 64.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.23 -6.99 59.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.03 -23.1 67.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -51.79 136.33 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 52.05 51.79 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -64.94 126.83 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 145.56 40.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.14 123.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.5 p -76.75 178.41 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.1 130.39 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.23 -41.16 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.96 75.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -59.52 -34.41 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.45 -54.01 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.41 -49.71 61.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.07 87.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.02 65.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -64.15 -40.52 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -64.04 -54.71 29.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.5 -33.01 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.27 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.57 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.8 -35.66 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.49 -35.65 68.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -74.5 -47.99 29.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.77 HG21 HD22 ' B' ' 666' ' ' LEU . 23.3 t -56.79 -37.21 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.94 -43.83 64.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.2 m -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' B' ' 659' ' ' TRP . 6.3 mt -76.27 -26.43 55.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD22 ' CB ' ' A' ' 22' ' ' ALA . 6.7 mt -72.18 -29.88 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.2 -49.02 14.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.84 HG21 HD12 ' B' ' 650' ' ' ILE . 34.6 m -61.53 -32.94 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.1 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.774 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 49.4 mt-30 -71.35 -33.9 70.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.24 71.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.14 -37.82 28.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.661 HD13 HD12 ' B' ' 640' ' ' LEU . 51.4 mt -76.6 -29.4 56.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.48 1.23 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -35.2 45.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.7 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -53.93 -27.58 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.774 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -107.08 -64.69 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.73 146.81 4.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m 64.39 108.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -84.55 166.21 17.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 63.7 t -72.78 87.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.49 70.58 8.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.88 -34.11 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.65 162.15 23.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -175.59 -35.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.91 -27.28 69.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.2 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.44 -25.32 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -52.67 169.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.3 162.24 20.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -96.37 136.99 36.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.8 p -138.41 175.44 9.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.238 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 177.62 -36.75 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.956 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.26 72.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 60.5 p -116.13 -24.25 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.01 10.94 22.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 28.8 mm -78.67 -69.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 5.5 ptm -161.84 49.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -122.86 165.52 16.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -114.9 -65.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -128.72 93.65 36.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -18.77 37.23 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.754 2.303 . . . . 0.0 112.373 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.4 -35.99 65.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 1.4 mtt -89.23 -27.9 20.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.706 HD21 ' CB ' ' B' ' 679' ' ' ALA . 5.9 tt -117.7 103.06 9.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 140.51 91.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.56 -40.35 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 616' ' ' ALA . . . . . 0.477 ' HB1' ' CG ' ' B' ' 619' ' ' MET . . . -132.82 -75.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.36 -54.26 0.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -147.38 26.26 1.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 619' ' ' MET . . . . . 0.477 ' CG ' ' HB1' ' B' ' 616' ' ' ALA . 5.0 mmt -82.29 -25.53 33.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.44 -30.99 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.44 -33.73 47.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -41.05 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.575 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.8 -33.15 34.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.05 -24.54 35.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 62.6 m -56.18 -39.18 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.789 HD13 HD11 ' B' ' 666' ' ' LEU . 26.4 mt -60.8 -36.53 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 627' ' ' GLN . . . . . 0.422 ' CG ' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -67.05 -52.53 41.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -53.02 55.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.486 ' O ' HD12 ' B' ' 629' ' ' LEU . 10.2 tp -60.63 -37.85 82.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.17 57.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.3 -34.13 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.75 -42.28 75.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.44 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 72.4 mt -73.32 -32.52 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.45 -53.09 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.2 -31.21 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -44.76 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 637' ' ' GLN . . . . . 0.412 HE21 ' N ' ' B' ' 638' ' ' ALA . 0.0 OUTLIER -60.78 -39.43 88.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 638' ' ' ALA . . . . . 0.412 ' N ' HE21 ' B' ' 637' ' ' GLN . . . -68.08 -24.56 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.065 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.63 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.661 HD12 HD13 ' A' ' 76' ' ' LEU . 9.1 mt -117.78 34.92 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -54.16 -52.75 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -26.01 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 643' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' B' ' 640' ' ' LEU . . . -71.02 -29.18 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -62.73 140.11 58.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -91.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 109.91 -19.7 27.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.89 26.09 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 17.6 p -119.8 -31.03 4.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 166.4 -115.12 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 71' ' ' VAL . 58.0 mt -54.12 143.15 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 171.45 8.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.09 -39.44 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -73.91 -41.41 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 654' ' ' ALA . . . . . 0.526 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.03 -44.3 76.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -59.99 -38.36 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.43 -55.97 27.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.15 -42.69 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.526 HE21 ' HB1' ' B' ' 654' ' ' ALA . 24.9 mt-30 -56.07 -49.41 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.615 ' HA ' HD13 ' A' ' 68' ' ' LEU . 73.9 t-105 -59.49 -59.4 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -51.75 -49.71 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.22 -34.51 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.69 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.748 ' O ' HG23 ' B' ' 667' ' ' VAL . 83.9 mmm -56.88 -43.45 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.15 -55.96 17.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.81 -28.34 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.789 HD11 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -66.41 -37.48 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 663' ' ' MET . 40.5 t -71.72 -51.15 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -52.75 -34.16 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.29 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.575 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 20.0 t80 -85.69 -51.97 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -55.53 -25.99 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.03 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -70.31 -32.07 69.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.71 0.41 43.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 75.6 m -58.34 -22.52 53.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -19.01 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -51.9 -30.29 23.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -53.54 -28.3 30.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.706 ' CB ' HD21 ' B' ' 613' ' ' LEU . . . -51.71 -29.97 20.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -63.68 -54.53 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -24.95 59.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.1 mtm -52.02 -30.03 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.83 -29.97 21.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 7.5 mtt -58.64 128.31 36.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -26.16 61.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.87 -64.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -56.47 -28.84 60.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.07 69.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 12.0 t -100.91 -32.63 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.44 -23.08 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.6 -60.84 2.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.48 -24.65 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -87.22 -25.25 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -58.06 139.52 54.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 60.39 93.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 149.08 175.44 21.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.866 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.42 111.39 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.39 129.44 20.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mp -136.81 34.22 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 55.61 31.22 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.73 -60.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -132.33 51.74 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -94.5 152.54 40.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.218 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 82.82 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.483 ' HG2' HD12 ' A' ' 11' ' ' LEU . 1.3 tt0 -110.68 154.21 24.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD12 ' HG2' ' A' ' 10' ' ' GLN . 0.7 OUTLIER 56.88 51.98 10.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.96 -29.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.03 38.65 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 p -73.01 -35.48 66.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -61.74 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.36 107.89 18.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.22 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -69.37 -51.78 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.66 69.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.37 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.7 -36.68 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.08 -48.35 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.16 -38.29 63.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -26.07 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.456 ' CE ' HD12 ' B' ' 629' ' ' LEU . 10.0 ttm -66.96 -58.79 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -28.86 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.62 -33.56 76.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -68.89 -40.18 79.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.16 -50.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.58 -45.92 66.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.43 71.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.86 -52.41 65.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -52.03 -39.09 59.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.46 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.78 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.6 ptp -63.81 -38.43 91.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 t -67.77 -52.01 42.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.92 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -85.14 -7.13 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.39 -29.46 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -51.91 136.33 28.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 m80 51.91 30.28 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -143.37 -74.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.42 47.96 5.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.435 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 58.55 67.56 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.0 p -179.36 100.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.1 143.27 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.09 -46.12 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.84 -50.6 71.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.08 -34.49 68.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.71 -54.01 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -51.75 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.64 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -63.96 -36.3 83.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.78 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -66.78 -34.94 78.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.58 -54.8 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.66 -34.14 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.67 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.84 40.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.446 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -52.79 -31.44 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.06 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -74.47 -52.67 11.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.6 p -63.65 -31.56 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.98 -53.46 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.1 m -55.82 -46.4 78.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.508 HD11 ' HD2' ' A' ' 64' ' ' LYS . 41.3 mt -58.47 -35.4 72.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.82 -45.84 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.98 -36.54 83.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 67' ' ' THR . 30.9 t -70.11 -33.08 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.06 76.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.528 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 38.0 mt-30 -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -34.51 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -77.48 -40.73 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.423 HD13 HD12 ' B' ' 640' ' ' LEU . 89.2 mt -73.81 -32.16 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.62 -65.38 3.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.05 -38.06 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -53.78 -56.16 20.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -66.1 -55.71 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.143 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.59 85.72 1.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -136.68 160.51 38.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.176 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -165.45 166.07 18.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 37.9 t -143.62 78.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.21 68.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.65 -26.84 10.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -157.79 154.54 28.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.54 159.68 32.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.39 -30.23 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.11 -58.54 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.37 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.06 -171.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -172.94 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -110.7 -28.6 8.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.2 -175.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.79 175.94 48.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.445 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 119.324 -0.369 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 602' ' ' MET . . . . . 0.647 ' HE1' HG23 ' B' ' 681' ' ' THR . 1.4 tpt 60.85 34.47 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 78.1 p -105.3 -10.55 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.97 2.27 56.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.465 HG21 ' HB3' ' B' ' 683' ' ' ALA . 24.1 mm -70.59 -72.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 9.4 ptm -172.42 29.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.19 144.79 16.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.25 -66.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -128.28 160.56 61.43 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.708 0.765 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.71 35.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.617 2.211 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -54.73 -27.57 41.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 37.6 mtt -68.44 -39.23 81.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.507 HD22 ' CG ' ' B' ' 680' ' ' ASN . 1.5 tp -86.65 -65.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -105.64 -153.9 21.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -151.23 172.73 15.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 60.86 -174.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -153.39 -67.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.407 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -117.17 31.79 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 6.4 mtt -79.4 -26.02 41.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.48 -31.02 32.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.46 -34.07 54.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.651 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.82 -33.92 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.84 -24.37 41.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 13.1 m -67.39 -52.51 39.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 19.5 mt -56.8 -36.55 70.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -51.99 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -30.49 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.456 HD12 ' CE ' ' A' ' 25' ' ' MET . 0.1 OUTLIER -58.39 -50.95 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.11 94.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.624 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -57.2 -38.22 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.84 -40.28 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 78.9 mt -73.16 -47.14 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.19 -32.87 62.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 631' ' ' ALA . 75.6 t -77.34 -31.21 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -52.81 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -56.46 -29.69 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.15 -27.02 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.423 HD12 HD13 ' A' ' 76' ' ' LEU . 8.6 mt -100.0 25.94 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -51.91 -46.0 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 96.5 p -55.42 -26.57 42.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.26 -36.19 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -52.86 147.79 8.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -96.9 -70.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.66 -26.31 21.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -98.41 28.15 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 3.2 p -117.19 -25.26 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.94 -78.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.01 143.25 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.119 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.27 174.4 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.61 -38.27 88.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.48 -41.17 63.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.2 55.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -54.4 -53.86 48.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -53.26 -28.6 28.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -55.17 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.16 -50.85 70.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.99 -51.46 57.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -52.01 -50.18 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -59.34 -41.39 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.88 -54.11 43.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.831 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.3 OUTLIER -54.12 -55.43 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -52.74 -34.63 53.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.41 -41.41 73.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' B' ' 663' ' ' MET . 6.5 mt -63.2 -45.93 89.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 663' ' ' MET . 27.0 t -55.05 -51.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -70.33 -32.28 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.23 65.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.651 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 36.3 t80 -68.35 -44.75 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -60.83 -22.75 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.26 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -62.37 -47.44 84.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.78 0.65 42.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 7.3 t -58.28 -23.77 57.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.93 -5.51 46.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -53.01 -53.23 53.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -82.3 -17.52 45.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -53.49 -27.13 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 680' ' ' ASN . . . . . 0.507 ' CG ' HD22 ' B' ' 613' ' ' LEU . 2.0 m-20 -69.03 -40.68 78.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 681' ' ' THR . . . . . 0.647 HG23 ' HE1' ' B' ' 602' ' ' MET . 1.2 m -58.43 -23.85 58.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 32.0 mtm -51.58 -33.49 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 683' ' ' ALA . . . . . 0.465 ' HB3' HG21 ' B' ' 605' ' ' ILE . . . -53.78 -29.93 42.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.9 ttt -59.97 157.72 12.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 4.4 ptp -74.25 -27.98 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.94 -37.98 54.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -57.62 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 57.85 62.39 2.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 1.9 t -116.0 -34.0 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -22.41 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.25 -60.83 2.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.1 -24.76 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.2 -25.22 25.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -45.19 71.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -64.81 144.42 57.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 95.29 104.29 1.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 60.04 94.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mt -80.84 112.64 18.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.66 -172.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.22 32.47 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.65 -59.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -116.13 33.82 5.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.9 pt -75.0 152.38 86.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.268 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' C ' HD12 ' A' ' 11' ' ' LEU . 5.0 pt20 -179.94 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 10' ' ' GLN . 5.5 mp -137.54 26.48 2.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.84 127.12 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.75 60.66 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.51 -31.42 72.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -28.83 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.17 120.23 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.6 -29.66 69.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.79 -51.62 65.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.66 84.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.99 65.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -40.29 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.27 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.05 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.34 -35.48 92.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.38 -37.66 88.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.521 ' HE1' ' HB3' ' B' ' 629' ' ' LEU . 45.3 tpp -57.36 -58.86 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -56.4 -25.94 51.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -74.78 -29.2 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -69.31 -45.78 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.0 mp -73.23 -47.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.72 63.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -72.9 -34.13 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.91 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.88 -47.65 79.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -55.16 -33.94 63.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.7 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.81 -46.48 64.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.5 mtt -55.65 -56.85 15.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -52.11 -49.94 62.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.784 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -23.79 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -7.04 58.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.83 57.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -53.31 -31.58 44.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.99 -34.4 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 63.46 -170.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.2 -145.19 24.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.97 166.48 15.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.5 155.01 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.5 t -88.79 171.78 9.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.773 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.11 -36.58 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.21 -26.09 37.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -67.54 -34.36 76.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.0 -54.04 51.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.48 -47.58 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.2 93.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -63.69 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.88 65.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -64.57 -39.35 93.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.09 -54.83 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.9 -32.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HB1' HD12 ' B' ' 666' ' ' LEU . . . -79.35 -40.74 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.48 -31.44 23.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.41 -30.34 62.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.37 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.537 HG13 ' CH2' ' B' ' 659' ' ' TRP . 27.1 t -63.81 -35.3 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -66.88 -44.16 81.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -69.89 -35.77 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.439 ' HA ' HG22 ' A' ' 71' ' ' VAL . 82.5 mt -72.0 -26.61 62.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD21 HD13 ' B' ' 633' ' ' ILE . 5.1 mt -70.22 -30.09 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.72 -55.06 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.905 HG21 HD12 ' B' ' 650' ' ' ILE . 27.0 m -57.03 -32.92 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.1 77.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.662 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 42.2 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.6 22.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -58.77 -33.97 70.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.17 -29.27 31.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.53 -65.51 2.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.07 -48.77 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.03 -28.41 38.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.509 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -107.27 -179.77 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -128.79 64.8 0.6 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.43 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.2 m -130.33 141.39 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -61.33 165.12 4.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.5 t -143.69 78.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.0 68.63 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.05 -26.47 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 60.73 92.16 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.74 176.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.51 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.55 -25.72 65.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.05 31.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -58.59 133.68 56.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.45 125.27 25.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -56.61 131.71 49.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.937 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m 52.76 69.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.95 58.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.918 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 56.98 72.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 50.9 p -116.19 -24.42 8.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.87 10.91 21.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.59 -69.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -161.69 49.58 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -122.84 126.89 48.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -134.32 -72.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -119.19 160.48 41.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.09 37.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.22 -45.54 75.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -27.5 64.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' B' ' 679' ' ' ALA . 5.4 mt -90.3 128.87 36.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 163.14 122.61 0.61 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.452 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.65 136.8 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -83.39 142.27 31.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -156.49 -176.22 28.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.423 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -36.26 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -31.0 46.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.03 33.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.08 -47.81 59.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -55.2 -56.6 18.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.427 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.81 -40.93 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.53 -24.89 48.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.414 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.0 m -66.83 -39.08 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.78 -44.39 90.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 627' ' ' GLN . . . . . 0.768 ' NE2' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -52.62 -42.12 64.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.0 m -75.99 -31.12 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.521 ' HB3' ' HE1' ' A' ' 25' ' ' MET . 0.1 OUTLIER -66.67 -52.72 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.9 -33.84 56.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.24 76.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.084 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.9 -43.71 77.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.613 HD13 HD21 ' A' ' 69' ' ' LEU . 50.5 mt -72.95 -34.0 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.28 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 99.5 t -56.27 -51.38 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -53.39 -37.28 62.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 637' ' ' GLN . . . . . 0.404 ' NE2' ' CZ3' ' B' ' 655' ' ' TRP . 0.0 OUTLIER -73.81 -32.1 63.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.86 58.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.18 -25.29 36.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.79 28.34 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -54.65 -38.95 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.4 p -62.63 -26.51 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.66 -31.18 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -52.05 149.26 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -94.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.97 32.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -144.8 26.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 29.8 p -118.63 -29.77 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 174.63 -79.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.905 HD12 HG21 ' A' ' 71' ' ' VAL . 59.4 mt -93.0 144.14 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 111.085 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.49 171.42 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.03 -38.64 91.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.02 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 655' ' ' TRP . . . . . 0.404 ' CZ3' ' NE2' ' B' ' 637' ' ' GLN . 41.4 t90 -54.43 -53.66 51.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -52.25 -29.72 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -53.51 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.27 -50.35 71.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.537 ' CH2' HG13 ' A' ' 65' ' ' VAL . 67.7 t-105 -52.05 -50.99 60.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -59.32 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.82 -45.88 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.3 48.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.694 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.73 -50.39 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -54.89 -38.59 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -66.1 -45.8 79.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.508 HD12 ' HB1' ' A' ' 61' ' ' ALA . 10.2 mp -59.64 -43.56 93.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.768 HG21 ' NE2' ' B' ' 627' ' ' GLN . 20.3 t -60.76 -51.26 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -65.56 -31.67 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.53 65.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.427 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 32.5 t80 -83.13 -46.75 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -62.0 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.75 -50.2 38.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -60.43 -35.82 76.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 95.2 p -82.11 -26.44 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -29.68 67.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -68.46 -12.96 61.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -51.42 -44.57 62.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.57 -17.17 49.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.517 ' HB2' HD21 ' B' ' 613' ' ' LEU . . . -56.92 -22.48 37.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -56.53 -70.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.81 -35.37 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 682' ' ' MET . . . . . 0.4 ' HE2' ' HB3' ' B' ' 682' ' ' MET . 41.4 ttp -51.77 -31.06 25.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -53.39 -35.17 60.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 99.47 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.5 ptp -64.49 -32.78 74.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.45 -63.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -30.44 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.27 88.29 6.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.4 t -114.08 -35.58 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -86.51 -27.74 23.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.72 -60.8 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -52.76 -27.89 19.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -94.48 -22.09 18.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 132.95 32.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -112.66 95.8 5.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 148.45 163.75 11.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.763 0.316 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.27 165.19 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.46 172.27 7.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.74 123.64 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -101.04 31.01 3.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.77 -56.22 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -52.31 -34.44 46.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -93.36 152.53 41.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 83.96 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 2.278 . . . . 0.0 112.357 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.8 tp-100 -111.05 152.04 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.82 20.52 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -101.49 143.42 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.53 23.44 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.37 -32.77 49.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.64 -62.79 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.44 100.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.786 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.8 -39.07 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' HG23 ' B' ' 633' ' ' ILE . 32.9 t80 -77.86 -48.79 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -30.83 31.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -52.01 45.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' CB ' HD12 ' A' ' 69' ' ' LEU . . . -62.42 -50.75 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.13 -25.68 74.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -79.92 -33.63 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.408 ' HE3' HD12 ' B' ' 633' ' ' ILE . 0.3 OUTLIER -55.47 -59.07 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -57.51 -23.72 51.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.13 -39.62 29.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -51.86 -43.56 63.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -72.92 -45.85 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.83 -45.08 70.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.484 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -39.97 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.78 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.94 -34.27 62.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -66.65 -34.25 77.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.9 91.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.056 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.23 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mtt -52.4 -49.67 64.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -58.5 -46.04 87.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.99 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -85.04 -7.1 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -22.44 48.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -51.77 -31.43 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -135.25 54.43 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.53 -26.62 55.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.99 -49.11 56.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -135.21 128.31 31.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 p -112.09 154.36 25.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.5 p -84.98 138.28 32.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.08 -24.96 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.71 -49.93 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -56.34 -46.92 79.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 55' ' ' HIS . 2.1 tt0 -62.96 -47.73 81.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.87 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.91 -28.61 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 52' ' ' GLN . 5.5 t-160 -62.88 -53.56 52.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 59' ' ' VAL . . . -61.12 -31.04 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -68.42 -36.46 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.99 -53.96 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 56' ' ' ALA . 5.0 p -53.3 -36.89 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.36 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' B' ' 666' ' ' LEU . . . -79.32 -44.65 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.47 -31.6 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.14 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' B' ' 662' ' ' ALA . 9.3 tptt -59.92 -52.45 65.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.736 HG21 HD11 ' B' ' 666' ' ' LEU . 18.9 t -54.6 -52.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -30.57 29.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 71' ' ' VAL . 44.4 m -79.65 -27.4 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 65' ' ' VAL . 69.7 mt -74.83 -40.63 60.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD2' HG12 ' A' ' 65' ' ' VAL . 2.8 mm? -55.09 -50.97 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -59.23 -32.24 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 67' ' ' THR . 98.3 t -76.08 -37.52 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.29 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.697 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 57.2 mt-30 -71.4 -33.9 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.37 77.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.52 -38.13 62.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.518 HD13 HD12 ' B' ' 640' ' ' LEU . 48.0 mt -74.67 -25.89 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 -72.45 1.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -45.98 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.697 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -55.13 -26.0 35.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.99 176.96 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.17 56.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -137.92 173.62 11.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -149.06 171.08 16.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 t -76.8 86.6 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.7 70.32 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.64 -33.83 7.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.642 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER 63.42 167.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.805 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 63.96 158.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.5 -29.51 17.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.46 15.04 13.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 87' ' ' ASP . . . -55.52 -26.32 42.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.72 101.84 2.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 t -151.59 101.96 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -178.01 145.83 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.003 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m 57.28 71.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.83 104.09 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.516 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.9 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.859 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.35 71.95 9.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -24.36 8.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.7 10.85 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.3 mm -78.74 -69.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 5.5 ptp -161.59 49.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -122.26 61.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -75.44 -52.29 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -115.9 160.47 35.08 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.656 0.741 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -20.89 34.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.612 2.208 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.46 70.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -43.53 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -55.49 19.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -70.15 144.91 40.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.28 176.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.83 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 61.27 -178.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 140.36 39.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.2 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 37.9 mtp -58.55 -25.29 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.99 32.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.22 -31.81 59.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -43.98 94.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -52.06 -47.82 64.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.52 24.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 26.6 m -60.68 -36.75 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 0.0 111.137 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 626' ' ' LEU . 3.9 mm? -65.45 -46.14 81.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 627' ' ' GLN . . . . . 0.434 ' HG3' HG21 ' B' ' 667' ' ' VAL . 6.8 tt0 -52.64 -40.83 63.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -32.82 59.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.408 HD12 ' CE ' ' A' ' 25' ' ' MET . 0.1 OUTLIER -68.62 -44.16 74.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.5 88.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.33 -31.87 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.89 -41.64 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.427 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 8.3 mt -72.95 -32.61 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.15 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.27 -31.77 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.88 -52.93 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.21 -29.81 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.88 -25.78 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.15 -26.03 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.518 HD12 HD13 ' A' ' 76' ' ' LEU . 10.3 mt -101.09 25.43 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -52.1 -51.06 60.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -26.42 59.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.33 -31.65 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -52.02 149.14 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.43 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 81.63 16.93 71.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.7 -27.2 6.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.6 p -77.64 -30.42 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -173.06 -120.66 0.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.607 ' HB ' HG11 ' A' ' 71' ' ' VAL . 59.0 mt -54.89 143.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 174.62 6.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -62.84 -40.87 98.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -74.71 -42.66 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 654' ' ' ALA . . . . . 0.489 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -66.53 -35.32 79.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -70.02 -54.27 13.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.59 -28.05 30.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.09 -26.51 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.489 HE21 ' HB1' ' B' ' 654' ' ' ALA . 29.2 mt-30 -76.28 -53.0 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -56.7 -41.73 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -49.99 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.96 -46.09 86.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 662' ' ' ALA . . . . . 0.441 ' HB2' ' CG ' ' A' ' 64' ' ' LYS . . . -57.3 -54.74 43.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.806 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.1 OUTLIER -56.39 -57.47 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.25 -33.74 42.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -66.72 -50.48 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.0 mt -57.14 -48.75 77.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 663' ' ' MET . 32.5 t -52.15 -49.3 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -70.42 -30.52 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.08 -38.78 71.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.6 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 17.4 t80 -70.17 -52.75 21.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.97 -23.3 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.93 62.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 57.8 ttp -65.66 -36.46 83.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.68 0.58 42.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.1 p -61.08 -18.95 60.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -4.83 44.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -56.16 -51.02 69.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -82.15 -17.23 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.48 -29.15 15.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -39.95 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 85.3 m -59.18 -23.7 62.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 33.0 mtm -51.66 -30.02 20.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.49 -30.16 19.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.62 83.27 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 8.0 ttt -55.89 -25.68 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -57.39 -26.87 61.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -71.72 -12.32 61.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 688' ' ' ASP . . . . . 0.44 ' O ' HG23 ' B' ' 689' ' ' THR . 14.5 p-10 -51.61 132.55 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 689' ' ' THR . . . . . 0.44 HG23 ' O ' ' B' ' 688' ' ' ASP . 0.8 OUTLIER -158.8 -55.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.216 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -22.96 20.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.23 -60.9 2.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.77 -24.72 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.08 -25.24 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 174.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -124.3 -72.25 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 136.34 110.34 1.03 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.447 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.763 0.316 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m -123.25 83.04 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.6 120.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -124.03 133.07 53.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -141.87 63.03 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.35 -55.68 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -148.71 54.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -94.96 152.45 39.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 80.8 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.667 ' O ' HD22 ' A' ' 11' ' ' LEU . 1.5 pt20 -80.13 -37.42 33.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 10' ' ' GLN . 3.8 mm? -132.0 78.54 1.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.26 -36.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.63 29.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -41.72 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -30.13 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -158.86 96.89 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.99 -30.66 22.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.1 -45.47 94.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -34.38 39.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.05 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -49.88 14.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 69' ' ' LEU . . . -57.77 -37.91 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.04 -25.72 74.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.6 -30.23 52.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.87 -58.72 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -56.05 -25.6 45.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -74.69 -32.26 62.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -67.94 -46.41 71.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.619 HG13 HD21 ' B' ' 626' ' ' LEU . 4.4 mp -72.19 -47.47 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.02 -46.81 68.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -73.04 -43.11 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.72 68.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -73.93 -39.52 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.55 -34.27 77.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.15 79.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.57 -26.31 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.8 mmt -72.69 -31.68 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.81 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -48.2 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.47 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.16 -7.0 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.76 -22.57 47.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.76 -30.92 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.73 -57.73 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.62 101.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.01 125.0 4.49 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.13 171.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.7 t 62.07 86.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 p -174.39 60.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.22 -54.27 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.155 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.675 ' HB2' ' C ' ' B' ' 601' ' ' SER . . . -75.19 -41.64 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.95 -35.03 74.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.53 -54.07 50.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.72 -47.22 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' B' ' 673' ' ' MET . . . -64.34 -38.43 91.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -67.49 -40.33 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.77 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -67.5 -32.63 73.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' HA ' ' HB1' ' B' ' 669' ' ' ALA . 3.4 t80 -71.91 -55.15 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.65 -32.42 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.84 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -41.52 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.54 -37.9 51.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.21 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -57.26 -52.86 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.724 HG21 HD22 ' B' ' 666' ' ' LEU . 21.6 t -58.19 -53.29 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -36.19 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.691 ' O ' HG23 ' A' ' 71' ' ' VAL . 41.1 m -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 65' ' ' VAL . 37.6 mt -71.88 -48.07 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.676 HD11 HD13 ' B' ' 633' ' ' ILE . 1.2 mm? -55.4 -33.68 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -32.67 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 67' ' ' THR . 85.6 t -76.89 -34.1 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.19 77.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.738 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 73.7 mt-30 -68.02 -40.85 82.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.47 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.7 -38.69 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.2 -28.03 62.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 -71.72 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -43.32 65.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -55.72 -25.95 42.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.738 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -120.75 -169.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.9 -27.65 4.22 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -175.53 170.88 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 111.064 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -153.3 164.57 37.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.39 84.79 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.31 60.24 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.22 -30.96 7.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -167.85 177.45 5.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.42 155.51 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.25 -26.77 21.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.24 -33.33 65.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.38 -63.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.3 t 52.03 40.9 29.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.93 -177.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.188 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -126.5 134.05 51.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.79 107.78 5.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.31 -99.27 1.37 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 601' ' ' SER . . . . . 0.675 ' C ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.878 0.37 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 602' ' ' MET . . . . . 0.667 ' HB3' HG21 ' B' ' 676' ' ' THR . 0.5 OUTLIER -132.53 21.21 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 2.1 p -97.55 -14.04 21.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.55 11.01 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.684 HG22 ' HG2' ' B' ' 606' ' ' MET . 35.0 mm -79.11 -72.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.684 ' HG2' HG22 ' B' ' 605' ' ' ILE . 1.2 ptp 179.92 53.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -131.18 -176.31 3.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -85.77 -170.1 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -62.32 160.53 31.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.44 37.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.84 68.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 20.8 ptp -87.37 -29.72 21.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.468 HD21 HG23 ' B' ' 676' ' ' THR . 0.5 OUTLIER -67.63 88.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 140.86 74.51 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -139.15 -56.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -90.03 177.08 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 144.9 115.94 1.03 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 -27.12 62.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 4.7 mtp -56.18 -25.26 46.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.49 -30.96 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.058 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -42.88 60.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -57.15 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -52.77 -32.94 46.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.57 24.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.7 m -64.67 -38.84 92.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.954 HD23 HD11 ' B' ' 666' ' ' LEU . 10.4 mp -61.32 -39.59 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.62 -50.11 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.4 t -64.26 -53.21 52.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.551 ' O ' HD12 ' B' ' 629' ' ' LEU . 9.0 tp -61.76 -34.88 76.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.83 93.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.44 78.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -55.9 -42.3 75.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.676 HD13 HD11 ' A' ' 69' ' ' LEU . 78.3 mt -73.26 -35.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.61 -42.39 82.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.7 p -77.42 -31.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.82 -50.48 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -69.99 -29.71 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.25 62.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.28 -24.65 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.92 25.66 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -55.22 -49.11 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.7 m -55.43 -26.32 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.48 -30.87 42.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -52.08 150.24 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -96.4 -65.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.1 -28.99 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.78 25.94 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.813 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 4.1 p -126.96 24.64 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.52 -106.32 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 54.6 mt -78.33 144.18 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 0.0 111.106 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.36 170.83 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -60.89 -42.07 97.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.16 -42.05 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.57 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -70.2 -53.75 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -53.81 -28.79 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.75 -23.89 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -76.35 -51.55 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.53 ' CE3' HD13 ' A' ' 68' ' ' LEU . 52.7 t-105 -51.9 -49.4 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -58.08 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -56.73 -48.57 77.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.7 34.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.726 ' O ' HG23 ' B' ' 667' ' ' VAL . 28.6 tpp -55.59 -43.03 75.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -53.54 -56.49 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.43 -28.25 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.954 HD11 HD23 ' B' ' 626' ' ' LEU . 0.3 OUTLIER -68.77 -37.1 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 663' ' ' MET . 99.4 t -66.94 -51.47 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -59.15 -30.41 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -55.96 -26.97 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.647 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 52.6 t80 -85.77 -52.23 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.14 -25.28 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.34 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 673' ' ' MET . . . . . 0.505 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -68.21 -47.17 68.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 24.9 t -62.31 -21.7 65.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 28.4 t -51.97 -30.46 25.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.667 HG21 ' HB3' ' B' ' 602' ' ' MET . 0.6 OUTLIER -102.9 -21.09 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -53.43 -28.12 28.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.59 -22.18 55.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.61 -29.67 18.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.138 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -52.03 -48.99 64.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -32.1 62.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 15.9 mtm -54.68 -26.9 36.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.36 -29.12 22.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.3 ttm 63.32 105.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.19 -26.65 40.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.81 -46.09 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -26.36 68.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.06 77.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.4 t -110.52 -34.78 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.36 -23.01 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.41 -60.76 2.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.68 -24.8 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.85 -26.28 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -58.63 7.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -84.84 142.98 29.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 94.05 138.2 9.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.352 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.32 136.61 23.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.78 103.44 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.6 mt -100.2 -35.59 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -172.33 52.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.41 -43.12 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -164.98 58.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -127.04 152.47 75.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.578 0.704 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 84.5 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.638 2.225 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.03 151.81 27.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 mp 54.61 27.45 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -81.48 132.09 32.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.83 27.58 16.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 t -59.23 -28.18 66.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.89 -26.01 64.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.06 93.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 -29.72 68.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CD1' ' HB1' ' A' ' 79' ' ' ALA . 12.4 t80 -57.18 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.76 -39.58 74.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.62 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -42.1 49.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.25 68.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.74 -25.69 74.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -74.63 -26.72 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.408 ' HA ' HD13 ' B' ' 629' ' ' LEU . 26.1 tpp -60.57 -58.64 7.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -57.06 -25.65 59.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -69.1 -39.13 79.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -45.64 91.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.677 HG13 HD21 ' B' ' 626' ' ' LEU . 4.5 mp -73.09 -46.51 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.08 84.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -73.08 -41.64 63.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.62 -28.87 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -70.7 -33.33 70.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -57.9 -33.91 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.05 -49.22 72.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.15 -65.66 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 ptp -51.98 -37.09 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.3 m -58.82 -40.76 85.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.44 71.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -6.95 59.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.74 -22.73 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.067 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.67 -30.45 21.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -123.57 -45.07 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? 61.16 72.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.33 158.37 12.31 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.87 -173.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.78 -170.16 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 169.68 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.74 -57.3 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.094 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.51 -38.78 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.81 -34.42 78.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.73 -54.01 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -50.98 59.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.58 89.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -64.12 -36.45 84.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.75 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 87.7 t80 -69.09 -54.75 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.99 -33.57 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.83 98.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.28 -41.56 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 -33.18 35.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.09 99.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -62.94 -52.57 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.47 HG11 HD22 ' B' ' 666' ' ' LEU . 7.2 p -66.53 -31.61 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.17 -50.77 29.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 m -59.62 -49.47 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' B' ' 658' ' ' GLN . 66.2 mt -54.5 -28.43 44.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.59 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.984 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.4 -51.6 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.82 HG21 HD12 ' B' ' 650' ' ' ILE . 22.8 m -59.82 -32.92 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.09 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 66.4 mt-30 -70.11 -33.94 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.85 -36.4 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -81.24 -39.12 25.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.652 HD13 HD12 ' B' ' 640' ' ' LEU . 54.7 mt -75.64 -29.23 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.77 -75.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 -32.25 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.04 -59.23 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.513 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . . . -178.14 -176.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.03 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.77 143.0 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -141.93 171.05 14.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 111.191 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -120.62 165.25 15.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.6 t -143.64 78.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.0 68.38 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.158 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.19 -28.5 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.54 -179.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.95 155.8 41.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.14 -35.72 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.86 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.9 -63.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.6 p -61.72 156.7 19.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.56 -177.44 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -144.31 146.48 32.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.4 p -70.8 142.15 51.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.26 -175.95 15.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.3 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.829 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.9 mtp 55.12 61.04 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 11.4 p -121.17 -18.22 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.06 10.97 29.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.777 HG22 ' HG2' ' B' ' 606' ' ' MET . 25.5 mm -76.29 -70.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.777 ' HG2' HG22 ' B' ' 605' ' ' ILE . 0.7 OUTLIER -168.85 -83.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 49.15 35.39 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -67.16 -29.13 68.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 609' ' ' TYR . . . . . 0.426 ' HA ' ' HD2' ' B' ' 610' ' ' PRO . 1.0 OUTLIER -123.44 93.65 47.5 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 610' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' B' ' 609' ' ' TYR . 53.8 Cg_endo -69.76 -17.3 37.64 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.414 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -53.58 -44.78 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 5.4 ptm -58.61 -31.77 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.701 HD21 HG23 ' B' ' 676' ' ' THR . 0.4 OUTLIER -79.28 126.81 31.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 93.67 136.82 8.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -99.85 -30.39 12.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 62.61 91.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -101.71 -104.14 2.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -94.37 -34.83 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -31.13 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -56.41 -31.01 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.67 -49.19 76.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -55.64 20.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.48 55.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.85 -24.64 34.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 32.7 m -59.91 -42.69 94.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 111.13 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.677 HD21 HG13 ' A' ' 29' ' ' ILE . 6.6 mp -68.13 -47.12 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -37.74 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -53.06 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 25' ' ' MET . 0.9 OUTLIER -54.4 -38.88 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.95 -52.44 35.02 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.51 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.306 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -55.88 -42.01 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.464 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 70.7 mt -73.48 -32.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.44 -53.15 38.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.27 -31.67 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.58 -41.91 98.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -37.51 86.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.79 -22.19 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.652 HD12 HD13 ' A' ' 76' ' ' LEU . 9.5 mt -117.16 36.02 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -56.38 -49.48 74.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -26.11 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.2 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -58.4 144.07 43.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -92.54 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 106.36 -21.58 32.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 26.33 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 56.5 p -119.68 -31.13 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.93 -117.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.82 HD12 HG21 ' A' ' 71' ' ' VAL . 55.8 mt -54.45 143.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.12 170.67 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -63.82 -38.91 92.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.67 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.19 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.46 -41.61 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -52.75 -56.04 18.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.35 78.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 68' ' ' LEU . 32.1 mt-30 -56.24 -50.89 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.464 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 65.3 t-105 -61.06 -56.13 24.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -50.88 -48.97 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -63.37 -35.23 79.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -67.79 -54.91 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.703 ' O ' HG23 ' B' ' 667' ' ' VAL . 38.5 tpp -58.16 -39.66 79.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -55.39 -56.14 23.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.47 -28.15 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.598 HD12 ' O ' ' B' ' 666' ' ' LEU . 0.3 OUTLIER -65.33 -37.49 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.703 HG23 ' O ' ' B' ' 663' ' ' MET . 99.1 t -67.11 -51.21 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -65.99 -38.9 89.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.25 -25.07 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -85.47 -57.56 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -23.5 62.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -37.22 59.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.9 ttp -52.34 -49.85 63.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -23.95 33.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 9.8 t -54.63 -33.31 60.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.701 HG23 HD21 ' B' ' 613' ' ' LEU . 0.2 OUTLIER -89.13 -14.07 37.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.091 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -51.56 -43.5 62.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -81.61 -17.1 49.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -56.29 -22.92 33.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -56.27 -70.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 35.5 p -54.98 -35.4 64.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.5 ttp -51.82 -37.48 51.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.2 -35.06 74.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.86 174.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 5.2 ptp -92.65 -29.04 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -53.45 -48.89 68.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -70.62 -44.88 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.73 101.41 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 1.8 p -106.01 -49.57 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.19 -23.58 20.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.93 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.78 67.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.09 -25.09 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 178.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -60.53 -59.93 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -175.92 -111.36 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.717 0.294 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.76 159.48 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mp -88.91 -62.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp 56.07 -172.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.0 74.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.87 -61.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -132.39 42.57 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -119.13 152.45 52.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 83.25 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.763 2.308 . . . . 0.0 112.314 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -58.04 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.17 24.54 12.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -75.15 -26.59 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.1 52.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -77.29 -26.3 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -49.71 62.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.06 102.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.94 -27.62 8.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -72.28 -51.78 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.19 -31.11 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.82 85.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -38.48 59.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.74 89.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.13 72.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -27.4 65.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.42 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.78 -58.69 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.46 -26.21 41.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -72.9 -29.84 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.542 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.2 OUTLIER -71.78 -45.37 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.1 mp -73.22 -47.81 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -46.83 65.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -72.96 -34.05 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.51 -27.63 65.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -71.62 -32.59 68.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.77 -34.73 40.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.38 -33.55 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.82 -19.3 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.0 mmt -51.7 -30.32 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 p -52.03 -43.93 63.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.4 -29.06 56.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -67.32 -13.36 61.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.596 ' HB1' ' HB2' ' A' ' 44' ' ' GLN . . . -55.75 -41.8 74.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 63.62 -83.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -110.48 25.02 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.596 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 2.3 mm-40 -114.97 25.87 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.69 -46.08 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -144.6 132.37 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.13 145.64 29.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.3 85.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.792 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.38 -25.68 50.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.28 -26.27 62.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.11 -34.7 68.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' HA ' ' HB3' ' A' ' 55' ' ' HIS . 2.1 tt0 -62.95 -47.85 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.4 -56.93 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.99 -28.5 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 52' ' ' GLN . 1.4 t60 -62.85 -53.12 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.14 -30.85 68.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -68.11 -38.73 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.8 -54.28 16.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.53 -36.98 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.47 33.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.75 68.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.77 -38.12 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.24 -47.65 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.687 HG21 HD22 ' B' ' 666' ' ' LEU . 20.9 t -60.47 -46.11 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.9 -50.35 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.673 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.3 m -54.5 -46.14 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.19 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.538 HD13 ' HA ' ' B' ' 659' ' ' TRP . 47.1 mt -60.05 -44.99 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.24 -52.79 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -49.52 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 67' ' ' THR . 91.7 t -56.56 -33.06 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.44 80.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.604 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 77.2 mt-30 -69.68 -35.78 75.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -79.96 -40.81 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.408 HD13 HD12 ' B' ' 640' ' ' LEU . 95.5 mt -73.75 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.31 -69.27 2.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.529 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.53 -32.39 50.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -60.15 -47.87 84.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -81.84 -169.81 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.47 -43.27 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.1 m -144.21 121.55 11.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -87.1 -177.9 6.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.1 t -80.92 84.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.38 59.35 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.45 -27.88 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 63.24 -179.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . . . -82.03 156.56 24.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.65 -35.95 17.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.07 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.556 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . . . -65.99 -60.53 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -53.16 169.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.13 167.51 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -64.51 -175.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.4 t -162.97 -171.31 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.79 30.81 8.64 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 119.368 -0.348 . . . . 0.0 110.914 -179.906 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 35.1 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.67 71.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 97.3 p -115.99 -24.47 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -89.78 10.88 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.3 mm -78.65 -69.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 18.7 ptp -161.59 49.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -122.51 54.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -106.24 -27.95 10.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 609' ' ' TYR . . . . . 0.416 ' HA ' ' HD2' ' B' ' 610' ' ' PRO . 52.4 m-85 -126.46 93.62 42.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.71 0.767 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 610' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' B' ' 609' ' ' TYR . 53.7 Cg_endo -69.73 -17.54 37.64 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -77.39 -33.86 55.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -27.86 26.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 8.8 tt -59.24 -39.88 84.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -138.13 141.42 12.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -144.77 152.74 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.773 0.32 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 61.37 85.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -111.21 136.32 13.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -38.14 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -26.6 68.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.54 63.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.46 -32.61 45.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -41.35 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -53.07 -45.05 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.9 -24.97 35.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 56.8 m -57.4 -35.09 69.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.496 HD23 ' CG2' ' A' ' 28' ' ' THR . 54.0 mt -68.16 -44.36 76.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 627' ' ' GLN . . . . . 0.479 ' HG3' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -60.16 -36.91 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.3 m -75.93 -53.1 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.542 HD13 ' OG1' ' A' ' 28' ' ' THR . 4.1 tt -57.85 -52.64 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.61 -36.51 48.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.672 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.46 -32.08 48.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.96 -34.08 77.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.28 -38.73 54.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.42 72.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.672 HG23 ' O ' ' B' ' 631' ' ' ALA . 85.1 t -76.02 -31.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -51.4 45.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -64.98 -30.16 71.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.83 -25.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.24 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.408 HD12 HD13 ' A' ' 76' ' ' LEU . 11.2 mt -101.91 28.67 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.25 -50.15 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 94.7 p -57.61 -27.15 62.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.58 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -52.13 149.67 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -95.52 -72.28 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.8 -18.73 49.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -95.86 26.15 4.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -118.38 -28.28 5.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 167.24 -80.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.83 143.16 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.381 . . . . 0.0 111.18 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 174.29 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.99 -38.51 88.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -73.63 -41.19 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 654' ' ' ALA . . . . . 0.551 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -70.11 -42.67 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -62.14 -42.73 99.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.7 -55.82 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.69 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.551 HE21 ' HB1' ' B' ' 654' ' ' ALA . 33.7 mt-30 -58.96 -52.72 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.538 ' HA ' HD13 ' A' ' 68' ' ' LEU . 72.2 t-105 -53.42 -58.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -55.95 -54.68 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -52.79 -34.18 52.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.41 -54.25 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.747 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.48 -38.63 54.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -55.38 -55.97 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.806 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -28.37 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.687 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.67 -37.36 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 663' ' ' MET . 46.4 t -72.66 -47.93 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -51.77 -31.54 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.45 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -84.9 -51.1 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.0 -48.44 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.89 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 ttm -54.2 -37.8 64.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -27.4 33.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 31.6 m -65.09 -29.09 69.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.56 6.93 45.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.194 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -63.09 -26.58 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -61.37 -26.27 67.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.82 -30.36 23.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -52.8 -52.65 56.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 62.5 p -70.54 -32.09 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 20.9 mtm -57.96 -33.58 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.36 -30.35 28.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.5 mmt -52.56 137.05 31.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -26.28 45.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -56.81 -42.71 80.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -32.24 54.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -113.45 68.78 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 8.9 t -86.62 -34.38 19.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -23.07 20.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.61 -60.92 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.49 -24.64 67.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.83 -25.27 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.1 176.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.04 -68.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 92.01 -122.79 6.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.421 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.769 0.319 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -144.92 -48.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.53 137.0 58.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.05 58.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.437 ' CB ' HD11 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -149.33 72.71 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.814 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.31 -56.25 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -61.78 -38.38 87.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.437 HD11 ' CB ' ' A' ' 5' ' ' ASP . 17.4 pt -65.77 152.44 93.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -164.71 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.752 2.301 . . . . 0.0 112.376 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER 179.0 105.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 58.13 22.49 9.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.664 HG23 ' H ' ' A' ' 10' ' ' GLN . 89.6 t -71.48 143.21 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . 74.16 -61.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.093 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.2 t -50.74 -56.14 13.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.36 -25.84 38.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 m 60.32 94.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.93 -26.18 64.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -55.06 -51.15 67.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.99 62.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.39 96.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -38.37 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.94 -32.07 69.83 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.465 HD23 HD11 ' B' ' 629' ' ' LEU . 0.4 OUTLIER -79.83 -28.75 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.883 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -58.8 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -58.23 -26.12 62.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.65 -26.92 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.597 ' CG2' HD23 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -71.17 -46.51 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.1 mp -73.17 -47.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -47.51 64.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -72.98 -34.08 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.01 66.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -72.63 -33.0 66.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -52.63 -34.08 49.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.36 72.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.69 -31.0 62.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.09 -56.09 7.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.79 -46.55 71.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.73 -27.32 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -85.15 -7.06 59.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.61 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.73 -30.99 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -167.99 99.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -83.34 101.38 11.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.5 -91.08 0.1 Allowed Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.65 99.77 11.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.83 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.84 174.03 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.44 137.33 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.86 -52.26 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -26.23 64.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.99 -34.6 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.89 -54.06 21.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -45.93 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' B' ' 673' ' ' MET . . . -64.27 -38.33 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -68.28 -38.68 81.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.3 -30.95 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.05 -42.38 99.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.25 -54.7 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.94 -32.72 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.8 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.57 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.97 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.28 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -70.2 -49.84 46.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.737 HG21 HD13 ' B' ' 666' ' ' LEU . 22.5 t -57.34 -44.59 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.81 -49.33 73.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.8 m -57.06 -36.28 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 659' ' ' TRP . 58.3 mt -76.18 -33.37 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -47.92 68.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 67' ' ' THR . 92.8 t -54.81 -33.13 27.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.96 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.584 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 58.2 mt-30 -68.69 -35.64 77.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.37 74.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.86 -38.89 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.8 -31.98 63.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.35 -70.4 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -31.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.584 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -58.48 -60.63 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -173.48 162.83 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -105.0 -159.82 23.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -173.64 172.42 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -67.82 -175.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.5 t -81.56 83.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.73 55.81 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.18 -26.54 63.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 59.06 -173.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.53 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.16 -44.6 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.86 -28.49 61.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.6 -51.55 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.71 127.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 80.2 p -71.29 -52.62 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.203 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -170.41 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.0 m 56.98 77.57 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.27 -151.61 6.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 119.355 -0.355 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 4.4 mtm -84.61 64.26 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 88.3 p -117.46 -22.75 8.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.74 10.88 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 26.2 mm -78.4 -71.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 14.8 ptp -171.49 29.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.49 112.18 2.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.44 -30.63 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -116.32 93.59 40.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -43.8 2.41 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -56.13 -43.98 78.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -29.33 45.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.57 93.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -169.56 106.23 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.89 155.55 27.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.761 0.315 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -89.65 -176.98 5.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -168.67 -153.01 8.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.84 -56.79 3.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.787 0.327 . . . . 0.0 110.808 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -26.96 60.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.86 -31.09 48.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.05 -36.67 52.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.65 -48.13 82.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.78 -41.93 62.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.49 -36.19 46.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.9 m -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.597 HD23 ' CG2' ' A' ' 28' ' ' THR . 8.4 mt -67.33 -57.7 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.74 -35.55 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 41.9 t -75.68 -37.15 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.5 HD23 ' O ' ' B' ' 629' ' ' LEU . 5.8 tt -69.05 -43.26 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.3 -45.41 58.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.66 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -55.96 -44.09 78.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.464 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 69.6 mt -73.25 -32.53 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 634' ' ' ALA . . . . . 0.408 ' HB2' ' CD1' ' B' ' 659' ' ' TRP . . . -69.26 -40.42 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.41 -31.19 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.89 -52.83 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -65.03 -29.71 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.29 -24.7 65.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.62 -24.87 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.3 mt -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -56.05 -47.85 77.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -26.73 39.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.36 -30.94 62.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -53.26 149.53 7.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -93.2 -70.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.23 6.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.404 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.19 26.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 72.8 p -119.83 -30.86 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.28 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.434 ' HB ' HG11 ' A' ' 71' ' ' VAL . 58.0 mt -102.47 142.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 651' ' ' THR . . . . . 0.432 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -99.95 175.01 5.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 652' ' ' TYR . . . . . 0.432 ' H ' HG22 ' B' ' 651' ' ' THR . 56.0 p90 -66.27 -38.4 87.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -73.37 -41.17 63.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.73 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -59.04 -48.47 81.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -54.25 -27.42 34.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.44 -27.33 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -75.79 -52.38 10.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.464 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 70.4 t-105 -51.96 -58.98 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.34 -57.84 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -52.94 -30.34 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 662' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' B' ' 659' ' ' TRP . . . -69.16 -54.77 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.51 ' O ' HG12 ' B' ' 667' ' ' VAL . 70.4 mmm -60.65 -30.09 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.8 -56.21 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.9 -28.29 58.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.737 HD13 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -68.42 -48.39 64.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.51 HG12 ' O ' ' B' ' 663' ' ' MET . 8.9 p -72.0 -30.4 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -65.87 -30.64 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.18 -27.04 52.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.595 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 58.0 t80 -85.66 -57.02 3.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -57.09 -27.0 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.34 -47.79 39.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 673' ' ' MET . . . . . 0.535 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 27.8 ttp -51.89 -36.92 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.5 m -82.54 -26.98 31.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -31.57 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.66 -15.87 47.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -53.79 -27.63 30.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.77 -20.72 58.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.454 ' HA ' ' HE2' ' B' ' 682' ' ' MET . . . -51.68 -29.33 17.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -51.61 -64.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -25.21 59.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 682' ' ' MET . . . . . 0.454 ' HE2' ' HA ' ' B' ' 679' ' ' ALA . 0.0 OUTLIER -60.41 -29.33 68.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.71 -34.44 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.8 ttm 62.09 -173.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -83.82 -26.63 29.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -55.78 -66.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 17.6 mmt-85 -57.62 -34.97 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -101.26 62.61 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.0 t -84.03 -33.94 24.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.36 -23.35 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.77 -60.78 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.27 -24.74 67.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.28 -26.61 24.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -59.58 -58.84 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -156.91 124.78 5.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -148.73 -55.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.417 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.65 127.16 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -52.04 131.65 31.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.12 -71.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -119.63 81.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.86 -32.4 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -169.01 36.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 pt -86.68 152.46 54.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 85.63 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.475 ' HG2' HD12 ' A' ' 11' ' ' LEU . 1.2 tt0 -104.45 153.57 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD12 ' HG2' ' A' ' 10' ' ' GLN . 0.9 OUTLIER 56.5 25.11 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.1 m -82.6 169.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.42 24.65 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.9 p -84.75 -37.9 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -83.19 -27.25 30.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.96 101.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.66 -27.74 11.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -74.01 -45.67 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.19 -30.27 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.93 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -75.82 -23.64 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.05 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.06 -33.22 69.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.78 -24.25 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -56.08 -25.67 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -77.89 -25.87 48.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -71.92 -44.94 62.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.7 mp -73.19 -46.45 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.68 68.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -72.91 -34.43 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.24 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -32.66 69.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.3 -33.84 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.25 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.16 -61.04 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.3 ptp -56.99 -31.49 65.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -64.44 -58.67 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.61 -29.06 70.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -85.08 -7.03 59.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.76 -22.61 47.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.047 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.81 -30.59 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.7 -69.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 52.42 74.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.12 100.29 0.14 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 58.28 80.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -175.8 -36.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.41 85.95 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.14 -57.61 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.22 -32.91 50.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -57.12 -34.5 68.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.55 -53.27 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.76 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HB1' ' HG3' ' B' ' 673' ' ' MET . . . -61.95 -38.54 88.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -65.2 -36.26 83.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.11 65.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -64.19 -39.71 94.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.77 -54.76 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.31 -33.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.89 81.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB3' HD23 ' B' ' 666' ' ' LEU . . . -79.38 -37.54 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.1 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.13 64.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -39.93 64.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.719 ' CG2' HD11 ' B' ' 666' ' ' LEU . 11.4 t -66.85 -45.81 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -42.59 98.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -71.02 -34.52 71.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' B' ' 658' ' ' GLN . 28.4 mt -76.25 -26.47 56.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.645 HD21 HD13 ' B' ' 633' ' ' ILE . 6.5 mt -72.72 -30.03 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -54.21 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.069 HG21 HD12 ' B' ' 650' ' ' ILE . 33.3 m -55.47 -34.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.17 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 80' ' ' ALA . 87.3 mt-30 -71.74 -54.04 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.6 -52.71 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -59.17 -21.41 59.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' B' ' 643' ' ' ALA . 36.2 mt -91.06 -14.92 30.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.47 -86.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.55 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -33.13 21.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.85 -70.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -178.38 142.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.9 179.97 53.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -155.37 173.58 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.661 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 35.6 p90 -52.95 167.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.66 89.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.661 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . . . -106.17 49.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.56 89.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.3 -171.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.17 161.39 19.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.26 -51.83 5.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.41 -29.28 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.05 87.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.05 128.27 34.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 t -141.85 76.77 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -127.35 -67.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 p 51.4 -170.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.92 -92.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 119.327 -0.368 . . . . 0.0 110.917 -179.86 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.6 mtp -108.66 62.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 4.4 p -120.84 -18.66 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.93 10.77 29.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.746 HG22 ' HG2' ' B' ' 606' ' ' MET . 25.3 mm -75.82 -70.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.746 ' HG2' HG22 ' B' ' 605' ' ' ILE . 0.7 OUTLIER -168.88 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 49.43 61.43 3.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -130.39 160.58 65.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.692 0.758 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -12.76 33.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.47 -45.76 62.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.06 -25.97 66.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.86 47.02 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 140.62 -142.06 11.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.51 -68.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.808 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 63.01 168.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 131.72 -154.86 21.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -95.96 32.59 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 7.0 mtt -80.31 -25.85 39.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.98 -30.99 38.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.83 -32.85 41.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.28 -35.76 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.365 . . . . 0.0 110.92 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.668 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.27 -25.07 31.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.8 m -56.19 -45.25 79.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.528 HD22 ' H ' ' B' ' 626' ' ' LEU . 2.0 mm? -69.0 -39.5 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -53.52 -41.87 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.3 t -75.86 -34.99 60.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -52.79 53.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.2 -51.18 52.45 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.646 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.31 -42.57 66.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.72 -43.98 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.645 HD13 HD21 ' A' ' 69' ' ' LEU . 69.5 mt -73.41 -38.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 634' ' ' ALA . . . . . 0.654 ' HB2' ' CD1' ' B' ' 659' ' ' TRP . . . -65.71 -33.51 76.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 631' ' ' ALA . 84.9 t -77.55 -31.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.81 -52.82 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -59.67 -29.6 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.4 -29.22 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.32 -23.43 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.66 25.48 5.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.91 -30.68 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.5 t -74.03 -26.34 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 643' ' ' ALA . . . . . 0.639 ' HB3' HD22 ' A' ' 76' ' ' LEU . . . -75.4 -25.41 57.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -63.58 121.25 13.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 -26.27 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.42 27.0 24.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.17 20.77 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 18.7 p -120.3 -31.05 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 178.12 -99.62 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 1.069 HD12 HG21 ' A' ' 71' ' ' VAL . 56.1 mt -65.8 143.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.413 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.86 164.94 12.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -60.45 -40.54 91.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -74.11 -41.54 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.3 68.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -54.52 -52.51 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.52 -30.03 18.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.99 -51.09 7.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' LEU . 10.1 mt-30 -56.54 -47.33 79.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' B' ' 634' ' ' ALA . 65.5 t-105 -51.9 -59.14 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -38.69 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -68.82 -35.74 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -69.94 -54.88 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.832 ' HA ' HD12 ' B' ' 666' ' ' LEU . 34.3 mmm -59.94 -48.77 80.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -55.3 -32.77 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -72.23 -50.61 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.0 mt -56.67 -47.72 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 663' ' ' MET . 42.1 t -51.3 -50.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -70.42 -31.31 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.14 -46.43 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.668 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 14.8 t80 -62.03 -56.75 15.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -59.46 -21.9 60.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 672' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.7 -38.91 61.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 673' ' ' MET . . . . . 0.44 ' HG3' ' HB1' ' A' ' 54' ' ' ALA . 6.9 mtp -57.59 -32.14 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 5.3 p -76.32 -19.53 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 16.7 m -56.63 -24.14 46.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -64.8 -14.78 60.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.129 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -51.77 -42.29 62.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -82.0 -17.08 48.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -56.46 -22.76 34.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -55.46 -70.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 22.4 p -54.29 -36.5 63.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 40.9 ttp -51.82 -30.03 21.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.83 20.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.07 144.69 11.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -61.71 -25.98 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.96 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.09 -40.02 24.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.18 63.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.1 t -118.7 -29.6 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.24 -22.91 20.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.42 -60.81 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.7 67.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -87.6 -25.24 23.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 120.34 6.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -139.89 96.22 3.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 72.28 -142.07 32.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 -179.884 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.29 141.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 163.42 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.0 -39.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -134.23 100.01 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.69 -61.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -129.57 55.72 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.5 pt -128.36 152.47 78.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 85.9 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.41 173.17 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.61 23.54 9.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -88.92 164.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.76 ' HB1' ' HB2' ' A' ' 17' ' ' ALA . . . 51.85 29.35 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.4 t -66.43 -26.41 67.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.93 -62.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 p -179.39 98.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.76 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . . . -114.13 -36.33 4.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 57.0 t80 -52.77 -51.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -34.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.15 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -19.52 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 18' ' ' PHE . . . -61.87 -50.19 73.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.32 -25.65 41.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -23.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -56.24 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -61.85 -24.06 66.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.14 -50.02 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -54.3 -50.32 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.2 mp -65.77 -48.15 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.62 -46.16 89.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -72.86 -39.54 66.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.38 -27.77 67.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.19 -32.33 70.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -51.72 -33.91 36.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.72 -34.39 71.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.55 -4.27 44.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 mmt -51.85 -30.02 21.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 p -54.48 -37.63 65.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' HB1' ' CD1' ' A' ' 51' ' ' PHE . . . -67.77 -23.77 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -6.88 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB1' ' HB2' ' A' ' 44' ' ' GLN . . . -55.53 -57.07 13.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 54.01 23.14 3.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.78 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.626 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -53.71 -44.74 70.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.99 -88.39 1.71 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -178.84 -71.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.943 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -52.16 141.77 17.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.45 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.53 -57.61 11.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 -31.88 71.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 45.7 t80 -61.29 -34.4 75.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -54.31 -53.19 57.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.45 -53.26 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -64.56 -35.94 82.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -30.64 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -68.84 -32.63 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 34.0 t80 -73.51 -54.04 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.78 -32.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -44.24 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.18 62.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.61 -40.1 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -63.97 -46.42 84.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.68 HG21 HD13 ' B' ' 666' ' ' LEU . 21.5 t -62.53 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -49.1 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 71' ' ' VAL . 93.9 m -55.34 -49.73 71.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.8 -29.04 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.43 -43.37 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -74.42 -32.24 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 67' ' ' THR . 57.5 t -68.52 -34.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.51 -50.29 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.543 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 45.3 mt-30 -62.01 -33.31 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.4 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -69.53 -36.24 76.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' B' ' 640' ' ' LEU . 40.2 mt -70.75 -33.36 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.27 -59.51 3.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.46 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -53.21 40.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -51.67 -52.97 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.29 144.93 31.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.75 27.49 12.43 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -108.35 170.09 8.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -159.29 165.33 33.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.5 t -143.71 78.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.07 68.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.19 -26.6 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 59.29 178.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.83 -179.12 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -88.77 -27.62 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.52 15.17 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.11 -60.7 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 m -143.5 91.18 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.999 0.428 . . . . 0.0 110.909 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 m -114.82 -33.39 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -168.1 149.23 5.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.98 0.419 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.5 p -125.02 174.83 7.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.3 -165.08 37.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.887 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 58.25 72.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 60.2 p -116.15 -24.49 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.797 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.81 10.96 21.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.66 -69.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 15.1 ptm -161.75 49.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -122.79 102.98 8.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -141.03 -59.62 0.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -116.13 160.56 35.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.662 0.744 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -23.61 30.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.57 2.18 . . . . 0.0 112.381 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -66.22 -25.58 66.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -43.68 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 22.7 tp -56.38 139.23 49.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 94.93 -142.09 15.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -172.78 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -59.49 122.56 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -112.4 84.31 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.06 -39.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 3.0 mtm -67.22 -29.81 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.85 -34.53 54.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.65 96.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.45 -47.52 83.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.504 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -51.75 -42.77 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -61.96 -27.08 68.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 54.6 m -61.39 -33.91 74.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.883 0.373 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.2 -47.3 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.87 -43.12 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 t -70.48 -30.48 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -52.83 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.63 93.64 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -55.53 -32.36 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -66.45 -31.99 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.561 HD12 ' CZ2' ' B' ' 659' ' ' TRP . 76.6 mt -73.24 -41.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.68 98.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.7 -31.13 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.51 -52.66 14.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -61.85 -29.62 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.58 -24.68 36.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.407 ' HB2' HD22 ' A' ' 76' ' ' LEU . 12.5 mt -106.55 32.46 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -40.48 96.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.05 50.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -57.08 142.16 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 92.62 2.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -69.17 -6.66 54.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.03 -14.13 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.9 p -105.14 -31.07 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.68 -134.84 1.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.42 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.663 HD12 HG11 ' A' ' 71' ' ' VAL . 63.6 mt -53.65 137.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 158.77 19.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -55.63 -41.17 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.92 -42.72 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.42 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -54.28 -49.74 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -29.7 18.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.95 -48.59 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.98 -50.72 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' B' ' 633' ' ' ILE . 70.1 t-105 -51.8 -59.26 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.74 -52.67 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -52.24 -32.88 38.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.18 5.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.543 ' O ' HG12 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.04 -31.35 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.29 -53.84 49.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 665' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' B' ' 669' ' ' ALA . 43.7 t0 -74.69 -26.7 60.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -72.14 -58.4 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 663' ' ' MET . 8.6 p -54.49 -41.8 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 668' ' ' ARG . . . . . 0.461 ' N ' HG13 ' B' ' 667' ' ' VAL . 20.5 ptt180 -72.63 -31.17 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' B' ' 665' ' ' ASP . . . -58.69 -25.63 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.504 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 83.1 t80 -85.6 -58.2 2.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -58.8 -55.49 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.02 -46.92 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 59.3 ttp -55.02 -32.14 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 17.3 m -82.81 -26.88 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 54.6 p -77.46 -47.76 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -13.81 61.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -55.07 -29.37 57.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -81.89 -24.06 35.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.53 -29.97 18.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.98 -54.88 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.1 m -74.17 -30.69 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 12.0 mtm -51.94 -45.64 64.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -81.43 -25.11 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.6 ttt 63.27 177.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -26.49 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.69 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -53.95 -30.7 47.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.73 121.79 15.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 64.6 p -140.06 -52.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.39 -23.01 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.65 -60.88 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.44 -24.68 67.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.41 -25.01 29.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -38.68 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -83.45 -70.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 159.35 -59.29 0.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.54 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.506 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -103.83 74.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -114.08 -61.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.78 142.87 29.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 t0 61.39 35.37 17.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.82 -58.18 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -139.48 35.79 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -78.77 152.44 77.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 111.168 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 86.04 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.784 ' HG3' HD12 ' A' ' 11' ' ' LEU . 10.4 tp-100 -98.41 -70.86 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.784 HD12 ' HG3' ' A' ' 10' ' ' GLN . 1.1 mp -109.22 20.84 17.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 33.3 m -58.85 163.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . 72.08 -70.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 t -51.81 -31.63 28.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -58.04 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 p -179.19 94.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -26.04 65.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -54.22 -42.51 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.71 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.21 -51.77 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.22 -38.67 90.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.59 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.15 -27.64 69.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -33.2 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ttm -56.92 -57.49 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.99 21.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -76.33 -35.89 58.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -48.62 73.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.414 ' H ' HD12 ' A' ' 29' ' ' ILE . 3.6 mp -66.92 -47.49 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.66 -45.82 67.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -73.01 -44.09 61.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.43 78.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.07 -51.19 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -41.82 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.57 -31.99 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.98 67.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mtt -65.52 -45.86 81.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -35.27 78.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.16 -25.27 60.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.23 -6.95 59.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.82 -22.6 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.044 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -51.73 -31.16 25.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -163.57 99.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.12 130.23 49.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.44 78.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 56.64 61.02 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.32 85.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -159.89 54.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.97 -57.55 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.53 -27.53 67.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -56.7 -34.44 67.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.4 -53.98 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.06 61.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.23 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -70.57 -37.26 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.99 65.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -65.74 -36.89 84.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.41 -54.77 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.35 -33.88 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.25 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.51 -36.09 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.43 -30.56 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -72.07 -42.62 66.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.767 HG21 HD11 ' B' ' 666' ' ' LEU . 14.3 t -64.72 -47.05 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -51.18 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 71' ' ' VAL . 96.9 m -55.16 -37.86 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 64' ' ' LYS . 34.0 mt -76.27 -37.3 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.7 -34.44 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.87 -44.13 21.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 67' ' ' THR . 60.4 t -62.46 -37.41 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.03 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.63 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 74.9 mt-30 -68.98 -34.06 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.0 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.12 -33.4 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.71 -31.21 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.15 -63.45 3.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.92 -44.14 82.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.12 -40.36 67.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -88.58 151.05 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 175.07 140.79 3.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.0 t -173.37 171.27 4.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -74.22 164.98 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.2 t -143.76 78.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.08 68.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.97 -28.15 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.95 158.4 44.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.61 -35.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.2 -27.61 59.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.01 -37.15 61.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.77 -63.66 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.64 175.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.38 169.61 8.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.106 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -107.52 134.6 50.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER 61.87 168.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.41 ' H ' HG22 ' A' ' 95' ' ' THR . . . 158.29 81.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.2 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.855 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.828 0.347 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 5.8 mtp -104.48 52.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.8 -12.63 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 604' ' ' GLN . . . . . 0.539 ' HG3' HD13 ' B' ' 605' ' ' ILE . 28.6 pt20 -89.5 11.25 19.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.539 HD13 ' HG3' ' B' ' 604' ' ' GLN . 0.2 OUTLIER -108.55 -171.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.5 ' H ' HG22 ' B' ' 605' ' ' ILE . 2.9 ptm -64.54 93.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -135.93 104.35 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.68 -69.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.05 160.53 49.19 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.693 0.759 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.15 13.04 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -54.54 -55.37 29.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 2.5 mtt -65.28 -29.14 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.89 HD21 HG22 ' B' ' 676' ' ' THR . 1.4 tt -52.24 -59.43 4.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -148.05 177.4 26.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -148.25 -66.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -171.53 -170.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 143.19 138.5 3.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.08 49.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 33.3 mtm -80.43 -30.76 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.43 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.052 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.99 -56.08 26.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -73.09 -32.24 64.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.357 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.21 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.11 -25.82 18.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.426 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.1 m -55.56 -36.07 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.81 -47.92 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.19 -37.62 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 m -71.18 -32.12 68.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -50.13 68.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -47.14 54.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.525 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.36 -38.73 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.729 0.3 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.74 -43.86 76.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 50.1 mt -73.23 -32.66 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.18 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 631' ' ' ALA . 94.4 t -56.19 -51.21 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -53.51 -37.55 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -31.87 63.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.24 -24.65 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.36 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.4 mt -107.32 26.94 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -52.1 -46.55 65.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.2 m -55.38 -26.47 41.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.71 -30.41 40.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -53.97 148.39 10.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -97.95 -60.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.96 -21.0 42.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.45 -25.45 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.7 p -66.94 -29.1 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.17 -114.7 0.57 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.508 ' HB ' HG11 ' A' ' 71' ' ' VAL . 62.1 mt -53.93 143.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.51 175.95 5.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.5 -39.2 91.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -73.89 -40.31 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.07 74.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -66.7 -54.06 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -28.5 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -84.22 -54.35 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.16 -50.66 70.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -52.05 -55.88 17.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.75 -47.19 64.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -62.46 -32.57 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.55 17.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.836 ' HA ' HD12 ' B' ' 666' ' ' LEU . 34.8 mmm -58.42 -52.38 65.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.13 -32.54 35.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.37 -51.31 21.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.8 mt -55.01 -47.2 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 663' ' ' MET . 92.1 t -51.49 -51.24 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -70.58 -30.31 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -55.66 -50.06 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.86 -49.09 77.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -63.62 -22.12 66.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 672' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.84 -38.72 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 45.0 ttp -64.85 -44.57 89.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.75 0.58 42.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 23.7 t -52.16 -29.61 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.89 HG22 HD21 ' B' ' 613' ' ' LEU . 0.2 OUTLIER -52.34 -29.08 21.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.147 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -56.48 -24.9 49.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.32 -21.28 59.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.596 ' HB3' HD22 ' B' ' 613' ' ' LEU . . . -51.23 -30.51 17.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -55.73 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.11 -23.92 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.0 mtm -51.86 -30.17 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.61 -36.74 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.3 mmt 51.69 51.25 17.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -94.17 -30.74 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -89.91 -30.95 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.27 -73.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 56.99 81.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.6 t -106.76 -32.06 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.3 -23.1 20.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.65 -60.84 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.75 67.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.61 -25.03 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -53.96 155.32 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -122.57 125.03 44.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 140.58 125.12 2.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 59.84 93.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.89 113.04 25.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.1 mt -104.54 177.07 4.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 55.36 39.48 31.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.29 -51.08 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -156.65 80.01 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -121.79 152.52 59.2 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.711 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 85.91 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.621 2.214 . . . . 0.0 112.333 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.605 ' C ' HD22 ' A' ' 11' ' ' LEU . 12.7 pt20 -109.79 -42.82 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 10' ' ' GLN . 4.4 mm? -126.52 26.28 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -88.38 168.18 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.79 31.56 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.6 t -81.31 -33.53 32.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.08 -32.16 73.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.8 p -161.86 100.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.12 -25.7 12.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.544 ' CE1' HD23 ' A' ' 69' ' ' LEU . 13.9 t80 -70.4 -44.24 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.66 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.72 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -28.47 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -50.54 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.62 74.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.547 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -28.94 49.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -58.79 6.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -42.41 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -55.63 -25.87 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -78.04 -40.82 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.551 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 30.9 mm -64.98 -46.65 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.89 -28.83 73.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -35.6 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 -34.73 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -37.17 85.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -52.86 -34.0 52.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.86 -35.85 72.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.84 -36.03 71.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -45.38 87.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.29 -42.75 82.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.64 -27.86 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -7.15 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -20.89 58.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.73 -31.22 25.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.53 -52.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 63.25 29.12 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.27 33.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -67.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.11 -65.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t 63.15 38.35 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.72 -57.55 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.43 -31.07 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -69.03 -34.42 75.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.77 -54.09 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.06 -47.29 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.25 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -70.92 -38.53 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.0 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.551 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 3.4 t80 -65.26 -54.76 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.02 -32.44 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.68 86.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.24 -37.42 38.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.3 -31.48 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -35.24 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -50.08 38.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.005 HG21 HD11 ' B' ' 666' ' ' LEU . 21.6 t -59.03 -44.45 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.12 -41.68 93.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.1 m -70.87 -32.29 69.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' B' ' 658' ' ' GLN . 64.9 mt -76.2 -26.57 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.633 HD21 HD13 ' B' ' 633' ' ' ILE . 2.4 mt -74.51 -29.64 61.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -80.07 -53.3 6.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.056 HG21 HD12 ' B' ' 650' ' ' ILE . 27.2 m -54.28 -38.04 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.16 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.71 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 31.0 mt-30 -57.5 -33.29 67.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.13 -27.87 59.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -82.01 -43.59 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.77 -22.17 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 -78.23 0.71 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.2 -30.96 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -51.64 -29.98 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -85.04 -69.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 160.95 -36.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.4 t -175.61 168.5 3.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -163.5 156.49 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 84' ' ' VAL . 2.6 p -65.94 89.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.28 76.78 7.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.82 -28.21 7.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t0 62.0 176.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.4 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.67 -25.23 59.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.3 -27.03 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.11 -37.06 66.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.11 95.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.8 p -141.3 28.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -173.99 125.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.43 -176.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.1 -86.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.55 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 119.39 -0.338 . . . . 0.0 110.872 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 60.5 72.1 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 4.6 p -115.91 -24.45 8.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.84 10.86 22.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.56 -69.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 6.6 ptm -161.81 49.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 607' ' ' TYR . . . . . 0.557 ' OH ' ' HB2' ' B' ' 683' ' ' ALA . 45.0 m-85 -122.88 -175.15 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.05 -73.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -126.13 93.69 43.0 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.726 0.774 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 84.34 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -76.52 -54.88 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.026 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 612' ' ' MET . . . . . 0.424 ' O ' HG21 ' B' ' 676' ' ' THR . 0.5 OUTLIER -86.01 -27.15 25.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.53 148.77 49.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -136.0 -146.87 5.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -130.54 -56.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.84 0.352 . . . . 0.0 110.796 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -170.3 179.05 3.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 163.68 157.26 9.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -101.54 53.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 23.6 mmt -79.47 -27.92 41.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.94 65.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.046 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -66.6 -42.92 93.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -61.08 -49.64 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.32 -36.88 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.058 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -73.26 -24.46 75.36 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.403 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.3 m -55.62 -43.72 76.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.127 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.583 HD22 ' H ' ' B' ' 626' ' ' LEU . 1.2 mm? -68.87 -39.17 79.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -52.63 -45.8 66.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 23.1 t -76.17 -39.97 53.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -52.7 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.79 -35.25 90.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.442 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -56.1 -32.55 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.47 -35.68 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.633 HD13 HD21 ' A' ' 69' ' ' LEU . 80.0 mt -73.51 -41.52 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.14 96.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.24 -31.05 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -52.89 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.58 -26.55 63.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.19 -24.13 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.89 24.5 6.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -51.51 -49.49 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 17.6 m -61.03 -24.76 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.13 -22.78 38.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -51.44 147.97 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -106.35 -41.62 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 63.82 14.54 55.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.539 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -111.38 23.75 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.969 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.7 p -116.02 -27.97 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 159.14 -48.13 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 1.056 HD12 HG21 ' A' ' 71' ' ' VAL . 48.6 mt -105.25 141.96 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.389 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.94 167.12 11.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -59.91 -41.17 91.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.33 -42.72 58.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.56 74.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -54.46 -54.63 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -53.07 -28.78 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.04 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.564 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.2 mt-30 -76.16 -52.56 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.453 ' CH2' HG13 ' A' ' 65' ' ' VAL . 58.9 t-105 -51.88 -46.68 64.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -53.15 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -58.11 -48.0 81.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.23 48.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.804 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -52.71 -57.77 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.21 -33.04 39.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -68.32 -46.85 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 1.005 HD11 HG21 ' A' ' 65' ' ' VAL . 2.2 mt -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 78.8 t -53.36 -53.01 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.69 66.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.1 -42.49 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -75.12 -51.62 13.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -58.3 -22.75 54.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -40.51 63.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -64.97 -42.9 94.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.74 0.49 43.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 3.8 t -56.28 -27.45 55.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -67.61 -12.82 61.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.112 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -53.06 -44.12 67.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -82.22 -17.09 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -51.13 -29.33 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -39.2 83.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -23.65 63.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 22.7 mtm -51.0 -31.19 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 683' ' ' ALA . . . . . 0.557 ' HB2' ' OH ' ' B' ' 607' ' ' TYR . . . -68.14 -39.38 82.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 3.4 mtp -59.09 163.92 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 17.5 ttt -91.28 -25.94 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.72 -49.4 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -63.72 -71.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.49 91.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 75.9 p -114.24 -46.57 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -89.18 -25.7 21.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.98 -36.9 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -49.31 -58.94 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -98.14 -57.5 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp 61.81 161.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 58.39 79.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 137.08 79.94 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.889 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.79 164.54 29.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.45 135.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.6 mt -98.84 159.23 15.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 61.13 52.11 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.15 -59.52 2.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.549 ' NE2' ' HB1' ' A' ' 17' ' ' ALA . 3.5 t60 -156.35 39.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -64.55 152.49 89.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.595 0.712 . . . . 0.0 111.183 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 86.03 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -29.02 10.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.94 38.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 17.5 m -57.89 157.92 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.089 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . 72.02 -70.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -51.95 -59.04 4.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -78.94 -25.76 43.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.11 98.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB1' ' NE2' ' A' ' 7' ' ' HIS . . . -92.49 -25.66 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -52.14 -49.54 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.4 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.83 -44.93 74.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -31.67 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.64 -50.21 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.47 -29.98 75.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -25.37 60.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.558 ' HA ' HD21 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -53.2 -58.77 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -60.78 -39.24 88.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.09 -44.18 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -63.58 -35.56 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.548 HD12 ' HZ ' ' A' ' 58' ' ' PHE . 27.1 mm -72.92 -37.46 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.79 -40.01 95.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.58 -49.78 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.24 -27.98 62.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -32.65 69.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -51.99 -33.06 36.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.06 -32.76 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.73 -21.65 66.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.4 mmt -51.88 -30.35 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -55.5 -39.8 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.448 ' HB1' ' CG ' ' A' ' 51' ' ' PHE . . . -76.49 -24.71 53.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -13.06 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 44' ' ' GLN . . . -55.71 -41.7 74.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 63.47 -82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -93.31 -24.62 18.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.475 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 1.6 mt-30 -67.99 -27.4 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.14 -104.09 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -175.33 75.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.38 133.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 p -179.44 -57.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.99 -57.66 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.01 -24.79 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.448 ' CG ' ' HB1' ' A' ' 39' ' ' ALA . 18.3 t80 -65.07 -36.92 85.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -62.24 -54.12 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -55.06 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.3 95.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -61.74 -39.03 90.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.96 66.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -64.9 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' HZ ' HD12 ' A' ' 29' ' ' ILE . 3.4 t80 -65.87 -54.91 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.03 -33.63 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.32 88.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -35.62 40.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -52.93 -31.51 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -52.73 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.493 ' HB ' HD11 ' B' ' 666' ' ' LEU . 7.3 p -63.23 -31.68 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.72 -51.5 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.757 ' O ' HG23 ' A' ' 71' ' ' VAL . 87.1 m -58.28 -52.12 66.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -52.94 -39.7 63.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.6 -41.34 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -79.84 -32.29 40.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.782 HG11 HD12 ' B' ' 650' ' ' ILE . 53.0 t -61.97 -51.5 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.26 63.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.599 ' HB3' ' HB3' ' A' ' 80' ' ' ALA . 79.4 mt-30 -62.92 -33.72 75.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.693 ' HB1' HG23 ' A' ' 82' ' ' THR . . . -65.57 -51.45 59.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -66.66 -39.32 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.493 HD13 HD12 ' B' ' 640' ' ' LEU . 48.9 mt -70.72 -30.19 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.18 -79.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.85 -29.03 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -51.43 -65.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.599 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -160.57 179.93 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.43 162.07 2.2 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.693 HG23 ' HB1' ' A' ' 74' ' ' ALA . 94.0 m -113.98 110.82 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 27.9 p90 -53.26 172.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.35 81.01 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 83' ' ' TYR . . . -85.81 64.28 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.65 -33.62 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 t70 62.37 164.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.14 172.53 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.91 -34.91 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.68 -29.93 68.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.02 -57.5 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -77.98 158.32 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.765 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.08 143.46 49.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 60.12 175.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.16 170.42 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.99 159.13 53.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.432 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.6 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.816 -179.847 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 601' ' ' SER . . . . . 0.402 ' O ' HD11 ' B' ' 605' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.912 0.387 . . . . 0.0 110.808 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 81.0 mtp -81.4 -170.63 2.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.95 -59.59 0.54 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.48 -7.9 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.402 HD11 ' O ' ' B' ' 601' ' ' SER . 19.6 mm -59.94 -71.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.208 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 12.3 ptm -174.05 56.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -102.42 154.88 18.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -108.46 -71.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -126.81 160.57 58.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -16.85 37.65 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -52.28 -47.57 65.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 11.9 mtt -55.82 -47.93 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.753 HD13 ' HB1' ' B' ' 679' ' ' ALA . 0.5 OUTLIER -65.67 -72.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -110.8 148.87 17.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -134.8 110.8 9.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.829 0.347 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 61.4 172.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -133.77 42.24 1.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -95.51 -26.7 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -44.38 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -54.42 -31.09 54.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.98 -45.83 61.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -53.59 -56.33 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.96 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.531 ' HA ' HD13 ' B' ' 626' ' ' LEU . . . -51.88 -38.28 55.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.93 -24.43 49.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -75.78 -30.97 59.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' B' ' 623' ' ' ALA . 10.7 mp -62.35 -42.17 99.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -52.84 28.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 2.6 m -59.82 -52.93 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 25' ' ' MET . 15.9 tp -54.22 -52.76 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.6 -45.59 54.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.628 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 72.4 mt -73.11 -38.46 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.74 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 631' ' ' ALA . 67.2 t -76.39 -35.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.03 -50.6 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -64.75 -29.89 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.4 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.493 HD12 HD13 ' A' ' 76' ' ' LEU . 9.0 mt -99.83 24.58 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -56.82 -43.0 80.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -56.97 -26.03 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.04 -26.13 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -51.62 146.44 7.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 93.89 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -73.77 -2.83 61.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.5 -15.26 63.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.953 0.406 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -30.66 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.55 -133.57 1.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.782 HD12 HG11 ' A' ' 71' ' ' VAL . 62.2 mt -53.73 137.66 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.09 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.35 160.31 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -57.17 -40.74 77.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -73.98 -42.45 60.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.92 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -54.42 -51.18 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -51.96 -29.44 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.4 -27.38 20.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.22 -52.99 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -52.53 -52.76 53.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.63 -46.75 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -60.72 -42.63 97.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -65.46 -54.38 29.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.791 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.6 OUTLIER -51.82 -50.11 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -33.15 56.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -73.48 -43.35 60.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' B' ' 663' ' ' MET . 10.2 mt -59.58 -56.02 27.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 19.7 m -55.72 -39.02 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -70.41 -35.53 73.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.3 64.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.44 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 30.5 t80 -62.74 -47.17 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.51 -27.29 68.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.56 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 25.1 ttp -66.92 -36.26 81.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.74 0.5 43.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 48.4 t -52.96 -29.09 26.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.39 -26.84 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -52.45 -29.64 25.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.09 -25.8 46.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.753 ' HB1' HD13 ' B' ' 613' ' ' LEU . . . -51.62 -30.02 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -59.44 -56.05 26.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.12 -25.11 59.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.8 mtm -51.99 -31.17 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -63.16 -53.91 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.6 43.68 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -29.59 52.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -56.51 -51.11 69.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.26 -35.92 80.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -77.52 92.86 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 81.3 p -107.58 -44.47 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.35 -22.8 20.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.48 -60.8 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.76 -24.68 67.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.86 -29.32 25.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 171.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -149.54 75.49 1.27 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 74.17 -172.53 51.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.476 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -176.04 98.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.12 161.22 28.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.94 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.39 69.91 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.37 -61.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -127.01 56.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -107.45 152.45 41.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 85.46 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.394 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -90.72 -67.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.34 20.44 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 m -80.05 167.09 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 17' ' ' ALA . . . 51.87 29.65 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -73.21 -26.58 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -69.95 -33.64 72.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 p -179.35 101.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . . . -114.03 -37.74 4.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.01 -51.81 54.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.87 54.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -61.83 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -33.89 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.11 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -30.48 77.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.27 -31.58 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.622 ' HA ' HD13 ' B' ' 629' ' ' LEU . 29.7 tpp -64.43 -58.68 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -29.15 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.93 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.4 -41.73 93.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.526 HG13 HD21 ' B' ' 626' ' ' LEU . 5.0 mp -73.07 -47.77 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.43 64.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -72.95 -35.78 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -32.56 72.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -51.61 -34.01 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.86 73.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.93 -15.92 60.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.5 mmt -53.89 -27.43 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 p -52.7 -40.38 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.648 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . . . -72.64 -25.34 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.68 -6.84 51.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB1' ' HB2' ' A' ' 44' ' ' GLN . . . -55.67 -57.45 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 51.83 24.84 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.69 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.626 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -57.77 -178.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.21 59.77 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.27 119.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.7 p -142.03 153.18 44.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.27 107.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.9 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.25 -29.33 22.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.648 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 2.7 t80 -56.92 -37.55 71.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.9 -54.07 49.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.37 -31.42 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.19 -36.97 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -66.14 -35.54 80.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.01 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -63.53 -42.09 98.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.3 t80 -62.47 -54.69 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.63 -32.77 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -35.07 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.29 -39.27 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.26 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -32.44 65.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 5.5 tmtp? -74.53 -39.95 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.851 HG21 HD22 ' B' ' 666' ' ' LEU . 20.1 t -70.72 -44.81 76.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.82 -49.69 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 m -59.25 -35.13 73.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.7 mt -73.45 -43.13 60.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.82 -44.43 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.95 -43.23 93.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 67' ' ' THR . 99.6 t -65.93 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.05 72.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.575 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 81.9 mt-30 -71.65 -36.91 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.46 88.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -73.14 -42.33 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.435 HD13 HD12 ' B' ' 640' ' ' LEU . 99.0 mt -71.34 -30.08 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.83 -73.22 1.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -30.2 24.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -56.84 -39.31 74.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -117.16 -73.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.18 162.93 9.54 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 m -56.21 121.97 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -114.69 160.0 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 84' ' ' VAL . 4.0 p -131.16 81.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.62 59.45 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.91 82.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.92 170.56 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.12 172.21 12.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.75 62.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.13 -34.15 65.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.98 85.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.041 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -158.12 121.96 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.62 -58.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -172.28 -174.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.15 108.89 14.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.167 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.37 169.41 14.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 119.379 -0.343 . . . . 0.0 110.846 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 4.1 mtp -132.02 55.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 1.2 t -111.33 -13.31 13.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 604' ' ' GLN . . . . . 0.429 ' HG3' HD13 ' B' ' 605' ' ' ILE . 7.0 pt20 -89.58 11.31 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.512 HG22 ' H ' ' B' ' 606' ' ' MET . 0.3 OUTLIER -107.98 -174.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.512 ' H ' HG22 ' B' ' 605' ' ' ILE . 4.7 ptp -65.01 104.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -141.45 -73.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 60.5 26.36 15.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 609' ' ' TYR . . . . . 0.431 ' HA ' ' HD2' ' B' ' 610' ' ' PRO . 0.2 OUTLIER -130.39 93.53 32.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.92 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 610' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 609' ' ' TYR . 53.5 Cg_endo -69.74 -39.36 6.64 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -58.76 -55.24 37.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.47 -39.85 95.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 35.1 tp -71.4 102.2 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 86.84 119.17 1.18 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -175.33 105.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -144.8 129.39 18.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -103.28 -82.44 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -134.26 32.5 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -28.91 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.81 -33.31 48.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.9 -31.67 55.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -62.01 -42.36 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.503 ' O ' HG13 ' B' ' 667' ' ' VAL . . . -57.02 -50.62 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -63.92 -26.03 69.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 25.4 m -56.81 -43.87 81.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.199 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 666' ' ' LEU . 6.6 mp -68.37 -47.4 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 627' ' ' GLN . . . . . 0.624 ' CG ' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -52.93 -51.89 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.622 HD13 ' HA ' ' A' ' 25' ' ' MET . 1.1 tt -74.35 -33.91 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.67 -49.13 67.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.684 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -55.99 -36.85 68.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.37 -44.47 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 62.6 mt -73.16 -39.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.14 -32.26 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 631' ' ' ALA . 89.5 t -77.15 -32.66 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -65.53 -52.49 52.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -29.66 70.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.55 -25.03 36.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 76' ' ' LEU . 7.9 mt -107.05 25.99 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -52.12 -51.44 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -26.22 43.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 643' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' B' ' 640' ' ' LEU . . . -76.33 -31.68 58.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -52.09 148.53 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.11 -72.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.4 -17.88 52.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -95.9 26.16 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 30.9 p -119.22 -30.32 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.22 -83.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.9 mt -88.03 143.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.7 175.5 5.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -66.84 -38.67 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -73.67 -40.25 63.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.37 -41.89 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -63.09 -40.38 97.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.25 -55.98 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.23 -43.93 80.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -56.16 -51.79 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -52.03 -59.15 4.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -52.1 -46.0 65.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -63.01 -29.16 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 662' ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.58 -54.48 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.734 ' O ' HG23 ' B' ' 667' ' ' VAL . 83.8 mmm -56.88 -38.77 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.4 -56.14 23.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.83 -28.36 64.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.851 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.68 -37.1 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 663' ' ' MET . 54.8 t -72.19 -49.7 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -59.36 -30.64 68.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.12 -30.48 62.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -85.75 -37.4 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.85 -18.58 61.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.52 63.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 11.8 ptp -59.88 -32.13 70.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.3 m -80.91 -19.96 43.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 4.0 p -56.07 -25.5 45.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.805 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -66.77 -13.41 61.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -52.77 -43.97 66.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -82.23 -17.17 47.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -51.37 -28.96 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -68.09 -39.15 82.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 5.1 m -59.91 -23.61 63.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 21.4 mtm -50.97 -31.17 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.03 20.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.86 63.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -25.62 63.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.74 -34.08 37.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -36.11 77.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.73 87.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 24.4 p -117.62 -38.98 3.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.31 -22.36 20.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.13 -60.83 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.29 -24.76 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.79 -25.09 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.66 -48.84 66.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -110.56 176.56 4.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 91.94 61.66 1.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.509 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -158.52 165.9 33.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.91 -45.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.11 114.96 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 t70 58.46 55.9 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.88 -37.03 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -167.42 74.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 pt -121.36 152.46 57.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.68 0.752 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -165.09 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.75 2.3 . . . . 0.0 112.304 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.534 ' H ' HG13 ' A' ' 12' ' ' VAL . 1.2 tt0 179.74 119.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mp 57.45 25.57 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.534 HG13 ' H ' ' A' ' 10' ' ' GLN . 28.5 m -88.95 -27.47 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.04 38.51 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.8 t -56.31 -29.39 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.69 -25.8 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.23 95.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.46 -25.85 24.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.05 -50.73 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.17 -46.37 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.06 88.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -43.32 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.46 70.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -32.26 83.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.414 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -26.8 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.414 ' O ' HD12 ' A' ' 29' ' ' ILE . 41.5 tpp -60.72 -58.71 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -55.55 -26.1 41.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.5 -32.01 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -69.66 -41.72 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.15 -50.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.42 68.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -72.87 -34.13 66.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.34 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.74 -32.67 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -51.73 -34.8 40.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.62 70.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.21 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.42 56.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.4 mmt -52.14 -29.58 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 p -51.92 -42.04 62.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.51 -25.64 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -66.99 -15.0 63.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.84 -56.95 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 62.24 -83.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -96.25 24.44 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -136.56 25.59 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.29 -76.16 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -135.38 152.12 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -114.79 161.86 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 p -179.26 112.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.16 -43.15 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.81 -26.97 38.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -57.89 -34.83 70.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.56 -54.07 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.47 -43.94 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.74 -42.15 86.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -61.01 -42.91 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.92 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -66.85 -33.54 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.4 t80 -70.81 -54.99 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.05 -34.17 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.06 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -37.63 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.54 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.33 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -61.68 -52.76 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.07 -31.42 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.94 -53.71 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.0 m -54.12 -47.02 72.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' B' ' 650' ' ' ILE . 77.6 mt -61.84 -39.66 92.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -45.46 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.76 -48.8 62.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 67' ' ' THR . 75.2 t -54.47 -33.09 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -50.1 75.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.638 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 25.8 mt-30 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.55 77.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.26 -37.23 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.66 -30.23 61.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 -76.94 0.94 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.416 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.33 -30.48 28.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -55.28 -32.67 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -119.28 -72.79 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.65 168.61 21.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -100.13 170.34 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.726 0.298 . . . . 0.0 111.161 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 46.7 p90 -131.87 173.65 10.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.5 t -79.06 84.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.531 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . . . -88.04 53.5 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.93 -42.92 47.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 57.12 -175.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.57 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.96 75.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.51 -37.15 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.89 -53.14 43.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.4 142.92 30.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.72 160.33 43.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -55.97 161.08 2.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.49 162.2 35.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.67 131.12 10.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.904 -179.881 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.846 0.355 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 55.9 mtp -147.93 -174.24 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.28 -61.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -11.08 44.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.734 HG22 ' HG2' ' B' ' 606' ' ' MET . 18.6 mm -51.09 -72.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.734 ' HG2' HG22 ' B' ' 605' ' ' ILE . 16.4 ptp 179.99 46.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -120.46 70.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.43 -55.36 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -127.69 160.52 60.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.737 0.78 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -24.67 29.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.401 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.28 73.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 16.2 ptp -92.12 16.25 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.797 HD13 ' HB1' ' B' ' 679' ' ' ALA . 0.5 OUTLIER -132.69 137.8 47.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 151.28 -126.87 2.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 6.5 m170 58.97 93.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -165.31 -179.89 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -160.35 -124.16 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.03 62.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.31 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.33 -32.86 29.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.09 -37.5 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.448 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -70.19 -56.38 6.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.616 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -51.6 -42.61 62.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -57.85 -24.41 53.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 15.5 m -66.0 -45.6 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.773 HD13 HD11 ' B' ' 666' ' ' LEU . 17.6 mt -68.14 -36.57 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.97 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 10.4 t -73.57 -53.19 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -32.6 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.11 -48.72 77.47 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -64.12 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -55.94 -41.02 74.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 75.9 mt -73.16 -36.51 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.94 -29.1 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 631' ' ' ALA . 91.7 t -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -67.58 -51.83 45.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -64.5 -29.79 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.16 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.21 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.73 25.61 9.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -52.01 -48.2 64.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 2.3 m -57.91 -26.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.15 59.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.01 150.2 4.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -93.39 -66.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.6 -29.52 12.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -97.99 25.33 6.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.969 0.414 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 81.2 p -126.87 24.46 6.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.75 -106.12 0.9 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.431 ' CD1' HD23 ' A' ' 68' ' ' LEU . 59.6 mt -79.38 143.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.159 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 651' ' ' THR . . . . . 0.407 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -99.21 173.57 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 652' ' ' TYR . . . . . 0.407 ' H ' HG22 ' B' ' 651' ' ' THR . 55.9 p90 -65.29 -38.66 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.53 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.52 -44.03 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -60.36 -41.9 94.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -57.39 -55.85 29.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.25 87.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -56.25 -52.85 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -53.51 -55.85 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -51.53 -44.47 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -65.19 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.76 -55.14 6.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.66 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.5 OUTLIER -57.42 -40.82 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.43 -55.8 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -69.03 -28.48 66.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.773 HD11 HD13 ' B' ' 626' ' ' LEU . 0.1 OUTLIER -69.15 -35.45 76.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 663' ' ' MET . 72.3 t -66.33 -52.08 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -68.2 -30.49 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.85 46.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.616 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 82.8 t80 -85.77 -57.92 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -58.53 -22.04 54.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.89 -30.68 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.18 -48.94 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 11.0 t -82.64 0.54 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 23.5 t -55.38 -26.22 40.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.484 HG22 ' CD2' ' B' ' 613' ' ' LEU . 1.5 m -53.09 -28.05 23.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.158 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -54.55 -27.1 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.39 -23.75 51.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.797 ' HB1' HD13 ' B' ' 613' ' ' LEU . . . -51.51 -30.0 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -56.37 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 5.0 t -74.08 -24.36 59.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.154 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.1 mtm -52.03 -30.0 23.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.7 -68.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.2 ttt 52.1 44.05 29.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.7 mtp -79.13 -41.76 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -64.08 -48.15 77.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -26.54 66.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.53 97.58 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 13.5 p -128.1 -73.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.5 67.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.99 -60.87 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.36 -24.74 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.33 -24.83 27.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.85 -179.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -174.93 96.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 132.01 -144.97 16.77 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -162.75 -47.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.82 164.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.28 104.83 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.09 74.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -114.17 -61.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -125.08 58.63 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -113.66 152.42 45.45 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 86.58 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.05 152.36 41.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mp 57.68 24.23 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.0 m -89.57 167.72 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . 51.9 29.58 6.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 t -74.19 -26.18 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.806 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -52.01 -30.03 23.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -82.28 125.52 31.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -28.83 67.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.583 ' CD1' ' HB1' ' A' ' 79' ' ' ALA . 21.7 t80 -74.55 -51.7 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -58.55 -34.37 70.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.44 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -35.09 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -49.4 69.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.15 -37.43 94.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.412 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.607 ' HB3' HD11 ' B' ' 629' ' ' LEU . 1.9 mm? -60.6 -36.85 79.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 0.0 110.892 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.483 ' HA ' HD13 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -60.21 -58.34 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.835 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -54.18 -27.37 33.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -69.24 -43.67 73.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -60.93 -47.76 84.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 4.4 mp -71.71 -47.07 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.98 -46.56 76.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.0 -43.33 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.8 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -68.3 -50.88 50.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -53.76 -34.17 58.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.38 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.45 92.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.0 mtt -58.47 -52.17 66.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -57.98 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -26.07 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.19 -7.06 59.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.71 -29.28 69.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -51.88 136.56 28.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.0 m170 52.09 36.1 18.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 107.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.23 45.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.5 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t 62.66 171.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 t -128.4 167.58 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.08 -42.93 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.46 -41.27 69.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -69.72 -34.6 74.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.21 -54.05 49.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.94 -48.63 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -68.11 -41.98 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.86 -30.82 67.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -67.15 -33.74 76.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 93.1 t80 -70.76 -54.82 10.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.9 -33.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.09 97.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' B' ' 666' ' ' LEU . . . -79.22 -35.69 41.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.87 58.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.67 70.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -72.85 -52.6 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG11 HD13 ' B' ' 666' ' ' LEU . 7.4 p -62.75 -31.68 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -71.89 -53.62 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -56.08 -40.41 73.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.448 ' HA ' HG22 ' A' ' 71' ' ' VAL . 79.7 mt -67.43 -26.58 66.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.87 -30.12 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.36 -51.57 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.817 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.84 HG21 HD12 ' B' ' 650' ' ' ILE . 31.7 m -58.42 -32.91 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.26 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.683 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 39.9 mt-30 -71.64 -34.06 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.26 -30.91 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -80.88 -43.36 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.441 HD13 HD12 ' B' ' 640' ' ' LEU . 68.8 mt -75.66 -25.22 56.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.98 -71.37 1.95 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.581 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -52.23 -38.91 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -58.23 -30.78 66.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -93.71 163.04 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.3 -29.59 3.4 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -65.87 139.31 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.036 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -104.6 165.66 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.3 t -143.5 78.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.145 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.02 68.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.58 -25.93 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -118.86 87.01 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.75 -176.1 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.95 -25.51 30.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.48 15.05 13.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.59 -52.88 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.1 t -108.99 -55.66 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.03 169.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 61.49 175.36 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.71 161.39 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -91.07 51.61 3.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.897 0.38 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 4.3 mtp -126.26 62.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 8.2 p -120.48 -18.4 7.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.97 10.84 29.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.826 HG22 ' HG2' ' B' ' 606' ' ' MET . 27.2 mm -75.89 -70.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.826 ' HG2' HG22 ' B' ' 605' ' ' ILE . 0.7 OUTLIER -170.09 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 50.96 -169.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -135.62 -176.19 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.32 160.42 9.5 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.67 0.748 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.54 35.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.291 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.07 -33.02 70.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 1.5 mtt -91.88 -55.26 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.928 HD11 ' HB1' ' B' ' 679' ' ' ALA . 1.3 tp -68.33 -67.74 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 614' ' ' GLY . . . . . 0.429 ' O ' HG21 ' B' ' 676' ' ' THR . . . 137.0 79.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 71.4 -70.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 616' ' ' ALA . . . . . 0.661 ' HB2' ' CD2' ' B' ' 613' ' ' LEU . . . 63.91 158.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 132.66 146.47 5.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.53 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -89.34 56.7 3.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -23.84 35.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 620' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' B' ' 674' ' ' SER . . . -52.22 -31.2 30.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.35 -31.99 57.24 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -72.27 -33.37 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.7 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.57 -38.88 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.44 36.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 5.7 m -62.27 -40.24 95.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.653 HD13 HD21 ' B' ' 666' ' ' LEU . 86.3 mt -68.17 -37.58 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.28 -39.0 89.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.0 t -75.8 -53.13 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.92 -41.19 95.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.02 -39.99 50.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.79 -40.06 72.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.34 -32.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.92 -53.48 31.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.4 -40.81 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.12 -39.65 90.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.71 -31.6 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.22 -24.55 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.24 -24.01 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 76' ' ' LEU . 10.3 mt -109.35 28.51 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -55.53 -47.37 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.981 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 12.0 p -55.4 -26.32 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.98 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -53.28 144.58 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.07 -64.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 98.27 -19.67 53.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.77 26.96 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 23.2 p -119.27 -30.37 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.63 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 71' ' ' VAL . 58.8 mt -75.03 142.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 171.57 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -73.62 -41.31 62.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.27 74.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -60.28 -42.23 95.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -55.85 -55.95 26.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.52 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.7 mt-30 -56.14 -52.47 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -51.96 -56.3 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -48.46 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -60.43 -33.41 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.588 ' O ' HG22 ' B' ' 667' ' ' VAL . 74.7 mmm -61.08 -32.58 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.13 -56.36 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -75.49 -28.01 59.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.653 HD21 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -67.08 -48.8 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 663' ' ' MET . 14.8 m -73.49 -30.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.3 -40.52 74.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.22 -52.14 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.7 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 38.5 t80 -59.61 -32.5 70.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.43 -25.78 66.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.933 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.46 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -68.79 -32.01 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 674' ' ' SER . . . . . 0.62 ' HB2' ' HB2' ' B' ' 620' ' ' ALA . 0.7 OUTLIER -82.59 0.52 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 5.8 t -64.08 -15.57 59.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.429 HG21 ' O ' ' B' ' 614' ' ' GLY . 0.4 OUTLIER -56.22 -23.03 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.115 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -53.29 -27.82 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.7 -21.54 55.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.928 ' HB1' HD11 ' B' ' 613' ' ' LEU . . . -51.17 -30.3 16.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -53.19 -54.9 29.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 43.3 p -74.22 -29.53 61.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 12.1 mtm -52.62 -29.38 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.68 -36.05 45.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.71 45.72 1.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 9.9 ttt -89.0 -26.48 21.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.34 -34.71 48.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.167 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -76.0 -29.61 58.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -98.09 89.52 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 31.1 p -107.31 -39.28 5.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.27 -22.4 20.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.17 -60.85 2.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.27 -24.62 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.01 -25.26 26.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -43.53 75.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -99.51 166.3 11.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 162.5 173.8 31.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.446 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.755 0.312 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.73 149.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -178.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.48 26.35 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -159.14 26.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.13 -37.4 4.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -139.37 34.27 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 pt -66.79 152.51 95.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.586 0.708 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 78.58 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' HG3' HD22 ' A' ' 11' ' ' LEU . 8.4 tp-100 -100.25 -41.84 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD22 ' HG3' ' A' ' 10' ' ' GLN . 4.3 mm? -93.34 61.9 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 t -81.18 -68.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.88 46.38 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -52.16 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.1 -26.03 31.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t 63.06 101.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.18 -25.56 11.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.0 -51.74 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.54 -43.81 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.96 63.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -76.73 -40.98 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -37.32 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.27 -48.53 37.81 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.887 HD23 HD11 ' B' ' 629' ' ' LEU . 2.4 tp -61.11 -26.24 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -58.63 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -53.2 -28.66 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -73.77 -33.91 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.597 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.5 OUTLIER -67.42 -46.79 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.451 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.5 mp -73.01 -46.02 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.62 -41.69 65.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -37.55 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.89 -27.75 65.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.67 -32.69 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.91 -34.0 39.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.83 -41.36 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.33 -23.86 51.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.9 mmt -51.9 -30.15 22.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.9 m -52.03 -51.6 56.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.53 66.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.88 -12.87 61.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 44' ' ' GLN . . . -55.74 -42.08 74.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 63.52 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -92.58 -25.48 18.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 4.8 mp0 -65.56 -26.99 68.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.67 -72.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.48 151.08 43.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 t -109.04 -74.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.79 98.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.55 -34.52 58.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.96 -27.11 41.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -59.27 -34.8 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.37 -54.11 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.37 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.02 96.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -63.13 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -31.05 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 3.5 t80 -63.72 -54.77 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.78 -33.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.51 77.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.17 41.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.09 -36.99 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.57 -29.27 61.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -74.61 -44.34 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.884 HG21 HD22 ' B' ' 666' ' ' LEU . 20.8 t -69.8 -41.26 79.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -66.68 -47.91 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -63.7 -33.14 74.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.431 ' HA ' HG22 ' A' ' 71' ' ' VAL . 40.8 mt -76.2 -27.68 56.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 69' ' ' LEU . 4.7 mt -72.27 -30.12 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -49.0 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.839 HG21 HD12 ' B' ' 650' ' ' ILE . 30.7 m -61.07 -32.84 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.86 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.562 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 64.0 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.42 -52.63 25.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -57.13 -35.87 70.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.36 -25.6 33.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.33 -71.56 1.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -46.58 65.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.25 -27.23 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.52 -64.59 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.21 -175.12 34.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.429 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 m 64.97 153.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.2 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -110.75 165.82 11.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.952 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.5 t -143.56 78.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.08 68.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.08 -28.19 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 55.88 90.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.01 -33.31 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.06 -26.4 49.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.86 -42.63 80.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.43 -27.59 67.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 t -80.36 158.68 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -53.39 153.9 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 61.01 171.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.72 100.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.06 135.18 12.68 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.948 -179.888 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.77 71.89 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 2.5 p -116.05 -24.43 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -89.92 10.89 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.6 -69.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 4.1 ptm -162.58 51.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -123.15 84.48 2.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.01 -55.82 8.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 609' ' ' TYR . . . . . 0.412 ' HA ' ' HD2' ' B' ' 610' ' ' PRO . 69.9 m-85 -130.21 93.68 32.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 610' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 609' ' ' TYR . 52.8 Cg_endo -69.88 -15.8 36.8 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.648 2.232 . . . . 0.0 112.265 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.93 -30.29 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.86 -32.48 16.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.576 ' O ' HG21 ' B' ' 676' ' ' THR . 1.3 mm? -69.24 -74.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 137.09 -104.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.435 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -173.99 167.44 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -173.08 -177.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 179.15 177.33 47.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -78.78 -26.02 44.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.801 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 53.9 mtp -53.88 -28.29 35.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -51.98 -29.73 21.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -51.78 -29.47 26.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -50.64 -32.03 17.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.369 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.85 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.69 -24.07 31.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 90.1 m -55.26 -32.89 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.128 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.467 HD12 HG22 ' A' ' 28' ' ' THR . 11.2 mp -68.27 -43.38 77.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 627' ' ' GLN . . . . . 0.782 ' HB2' HG11 ' B' ' 667' ' ' VAL . 3.3 tt0 -69.91 -48.9 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 30.9 t -56.37 -51.7 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.887 HD11 HD23 ' A' ' 24' ' ' LEU . 4.1 tt -54.51 -36.07 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.27 -42.11 81.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.25 65.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.315 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -55.99 -39.17 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.34 -33.26 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.24 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.41 -31.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.07 -52.83 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -65.96 -29.72 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.7 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.55 -24.17 34.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -106.97 28.31 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 641' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' B' ' 652' ' ' TYR . 7.5 mm100 -61.27 -46.06 91.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.9 p -55.46 -26.35 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -80.5 -26.45 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -53.29 147.83 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -95.18 -72.03 0.64 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.9 -19.66 43.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.02 26.21 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.2 p -118.92 -29.76 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.54 -88.22 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.839 HD12 HG21 ' A' ' 71' ' ' VAL . 60.1 mt -84.34 143.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.51 174.1 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 652' ' ' TYR . . . . . 0.418 ' HB2' ' NE2' ' B' ' 641' ' ' GLN . 55.9 p90 -65.05 -38.84 92.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -73.75 -42.57 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 654' ' ' ALA . . . . . 0.665 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.23 -42.38 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -62.0 -40.92 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -55.98 26.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.07 71.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.665 HE21 ' HB1' ' B' ' 654' ' ' ALA . 61.9 mt-30 -56.11 -48.71 75.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -51.96 -59.28 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.3 -54.27 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -56.88 -27.39 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -74.54 -54.59 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.441 ' HB3' ' HE3' ' B' ' 663' ' ' MET . 75.5 mmm -57.85 -35.54 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -58.56 -56.01 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.72 -27.71 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.884 HD22 HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -63.81 -47.88 79.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' B' ' 627' ' ' GLN . 22.7 m -73.99 -30.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -67.08 -31.06 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.77 -51.74 67.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.06 -40.05 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -21.23 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 672' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.92 -38.56 62.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 46.8 ttp -66.04 -38.18 87.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.72 0.61 42.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 4.9 t -57.95 -23.3 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.8 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.576 HG21 ' O ' ' B' ' 613' ' ' LEU . 0.3 OUTLIER -65.21 -14.62 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.201 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -63.52 -47.41 81.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 678' ' ' GLU . . . . . 0.684 ' O ' HG22 ' B' ' 681' ' ' THR . 4.8 mm-40 -81.7 -17.73 46.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.669 ' HB1' ' CE ' ' B' ' 682' ' ' MET . . . -55.88 -24.26 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.3 -41.48 60.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 681' ' ' THR . . . . . 0.684 HG22 ' O ' ' B' ' 678' ' ' GLU . 14.1 t -55.37 -30.96 61.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 682' ' ' MET . . . . . 0.669 ' CE ' ' HB1' ' B' ' 679' ' ' ALA . 67.6 mtm -52.81 -30.12 31.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.03 -30.09 23.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.81 103.38 13.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 12.3 mtm -54.79 -27.28 40.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.3 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -60.81 -31.54 70.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.69 87.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.3 t -136.47 -41.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.29 -22.78 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.31 -60.85 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.92 -24.72 67.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.92 -25.27 28.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -35.42 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 52.62 84.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 130.92 166.91 11.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.908 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 mtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -159.03 116.04 2.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.44 106.41 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.6 mt -101.69 73.0 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -167.89 62.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.72 -58.25 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -160.47 26.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -95.14 152.54 39.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 111.097 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 85.12 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.84 150.99 38.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.31 26.7 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.4 m -73.39 167.93 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.69 28.05 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 t -83.59 -32.01 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.788 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -51.98 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.22 101.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.9 -34.11 6.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -77.38 -35.42 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.01 -32.34 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.81 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -65.22 -38.11 89.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.38 -47.04 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.93 -50.11 54.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -32.36 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.68 ' HE3' HD12 ' B' ' 629' ' ' LEU . 0.7 OUTLIER -53.06 -58.78 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.761 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -53.79 -31.45 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -75.37 -36.22 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -46.16 76.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.8 mp -73.24 -52.6 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.51 -45.17 67.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -73.16 -35.71 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -46.34 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.25 -37.07 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -52.02 -33.85 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.86 -47.99 76.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.64 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -58.18 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -38.55 65.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.66 -29.36 64.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.059 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.12 -6.92 59.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.62 48.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.71 -31.57 26.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -175.2 94.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.05 98.78 11.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.91 -138.97 9.36 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -137.48 26.31 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.924 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 p -124.32 118.44 26.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.9 m -147.67 56.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.2 -57.37 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.24 51.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -67.41 -34.48 77.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.89 -54.15 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -32.15 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.77 -33.79 52.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -71.74 -34.67 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.89 65.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -64.99 -38.81 92.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.447 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -65.72 -54.77 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.3 -33.3 47.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.69 90.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.42 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.54 46.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.75 -30.95 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.5 OUTLIER -74.51 -46.95 35.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.916 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.909 HG21 HD22 ' B' ' 666' ' ' LEU . 20.6 t -66.18 -39.6 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -47.56 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.74 -34.18 77.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' B' ' 658' ' ' GLN . 51.8 mt -76.25 -27.1 56.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.479 HD11 ' SD ' ' A' ' 25' ' ' MET . 8.2 mt -72.66 -30.15 64.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.34 -52.34 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.968 HG21 HD12 ' B' ' 650' ' ' ILE . 33.1 m -58.76 -33.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.1 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.652 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 31.0 mt-30 -71.68 -34.13 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.19 -36.63 77.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -80.99 -40.58 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.496 HD13 HD12 ' B' ' 640' ' ' LEU . 54.3 mt -72.78 -30.47 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.95 -72.46 1.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -52.08 -36.39 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -52.11 -57.64 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -177.83 154.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.53 -155.55 20.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -166.98 170.13 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -84.76 -170.69 3.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.0 t -83.48 83.6 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.64 56.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.71 -28.52 60.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -121.66 89.76 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.2 -33.39 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.39 -26.07 64.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.08 -50.31 16.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.91 69.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m -165.18 153.83 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.83 176.79 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -57.49 174.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.994 0.426 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 p -136.55 136.02 38.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.9 86.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 119.413 -0.327 . . . . 0.0 110.881 -179.896 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.841 0.353 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 21.5 mtp -140.46 51.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.96 -12.02 13.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 604' ' ' GLN . . . . . 0.533 ' HG3' HD13 ' B' ' 605' ' ' ILE . 14.6 pt20 -89.65 11.22 20.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.533 HD13 ' HG3' ' B' ' 604' ' ' GLN . 0.2 OUTLIER -108.82 -171.18 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.483 ' H ' HG22 ' B' ' 605' ' ' ILE . 10.5 ptp -63.98 109.78 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -154.62 60.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -124.11 -38.04 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -111.59 160.61 28.85 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.723 0.773 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -32.96 17.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.737 2.292 . . . . 0.0 112.316 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.35 64.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 9.1 mmt -82.9 -36.55 25.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' B' ' 680' ' ' ASN . 1.3 tt -65.81 -59.55 3.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 176.1 118.94 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -179.22 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 616' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' B' ' 677' ' ' HIS . . . -143.02 -175.73 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 173.91 -145.16 8.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.448 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.93 41.56 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.795 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 6.5 ptm -80.9 -26.77 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -54.26 -31.73 54.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.1 -42.29 61.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.424 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -64.24 -37.39 87.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.32 -33.09 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -70.12 -27.74 72.53 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -55.69 -36.74 67.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.14 -36.38 79.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -46.9 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -30.49 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.68 HD12 ' HE3' ' A' ' 25' ' ' MET . 0.6 OUTLIER -67.37 -38.09 84.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.14 -47.12 75.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.31 -38.37 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -44.01 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.26 -37.22 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.4 -49.73 75.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 631' ' ' ALA . 97.3 t -56.78 -51.38 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.59 -37.17 62.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -31.9 63.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.47 -24.66 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.16 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.496 HD12 HD13 ' A' ' 76' ' ' LEU . 10.7 mt -108.1 31.66 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 641' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' B' ' 652' ' ' TYR . 14.2 mm100 -59.01 -48.79 80.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.2 m -55.67 -25.98 42.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.61 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -52.15 147.04 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -94.33 -71.19 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.91 -19.87 40.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.413 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.11 25.95 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 14.0 p -119.79 -30.96 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.84 -98.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.572 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.968 HD12 HG21 ' A' ' 71' ' ' VAL . 58.1 mt -74.07 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.56 172.13 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 652' ' ' TYR . . . . . 0.421 ' HB2' ' NE2' ' B' ' 641' ' ' GLN . 55.9 p90 -64.62 -38.87 92.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.76 -41.22 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.96 -43.8 74.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -61.52 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.06 -55.89 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.96 -41.85 81.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.448 ' HB3' HD11 ' A' ' 68' ' ' LEU . 21.1 mt-30 -56.23 -44.12 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -64.36 -56.4 14.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -51.07 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -59.71 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 662' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -59.55 -54.48 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.732 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -54.53 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.895 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.26 -55.85 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.13 -28.48 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.909 HD22 HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -66.23 -36.84 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 663' ' ' MET . 40.6 t -73.49 -51.38 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.88 -30.73 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.62 51.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.69 -54.51 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -55.95 -25.48 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.72 63.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.9 -37.25 81.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 2.4 t -82.75 -22.85 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 1.2 p -55.83 -25.99 44.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.762 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -65.86 -14.24 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 677' ' ' HIS . . . . . 0.496 ' HB2' ' HB2' ' B' ' 616' ' ' ALA . 2.2 t60 -51.41 -43.38 61.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.7 -17.03 49.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -56.45 -22.73 34.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 680' ' ' ASN . . . . . 0.515 ' HA ' HD13 ' B' ' 613' ' ' LEU . 24.1 t30 -56.41 -70.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 3.1 p -54.95 -35.39 64.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.6 ttp -51.85 -30.24 22.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.04 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.97 150.8 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 30.7 mtp -87.29 -25.91 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.9 -44.26 63.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 8.7 mmt-85 -77.71 -57.51 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 57.45 88.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 20.0 p -117.3 -62.02 1.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -73.88 -29.89 62.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.02 -37.36 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -49.1 -56.96 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -98.06 -57.22 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 3.3 tttm 49.39 -167.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -112.63 135.88 52.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -93.04 135.23 12.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.877 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.4 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.45 144.3 28.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.39 124.9 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mp -132.97 27.14 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.62 31.6 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.5 -61.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -116.45 67.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 pt -109.7 152.43 42.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.527 ' H ' HG13 ' A' ' 12' ' ' VAL . 1.2 tt0 179.64 122.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 56.33 25.99 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.527 HG13 ' H ' ' A' ' 10' ' ' GLN . 26.1 m -90.5 -28.93 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.15 42.19 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 t -59.49 -31.54 69.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -58.87 -42.62 89.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.63 99.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.77 -29.5 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 72' ' ' ALA . 74.4 t80 -73.93 -41.51 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.87 64.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -76.7 -27.13 55.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.73 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.84 -27.17 73.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -27.63 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -58.71 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -57.89 -25.69 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -72.35 -41.26 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -59.76 -49.12 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.631 HG13 HD21 ' B' ' 626' ' ' LEU . 4.8 mp -73.08 -46.52 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -45.72 68.13 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.96 -34.29 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -67.33 -34.71 77.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -60.52 -33.99 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.47 -34.01 65.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.54 -28.78 65.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.493 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.6 mtt -82.21 -39.6 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.6 p -69.34 -41.4 76.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.77 -36.71 67.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -85.17 -8.29 58.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 37' ' ' MET . . . -66.95 -22.93 65.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.56 136.4 26.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.9 m170 52.0 31.22 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -144.98 -74.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.59 -19.67 52.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.04 174.49 10.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.81 157.84 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -108.43 175.24 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.05 -57.56 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.35 85.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -61.79 -34.38 75.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -56.17 -54.04 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.38 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HB1' ' CG ' ' B' ' 673' ' ' MET . . . -78.13 -36.67 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -65.16 -35.48 81.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.47 -30.93 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -65.91 -36.9 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -67.65 -54.91 15.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.78 -33.76 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.88 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -36.63 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.79 -34.48 53.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.06 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 4.3 tmtp? -73.56 -48.59 31.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.965 HG21 HD22 ' B' ' 666' ' ' LEU . 21.3 t -68.63 -36.61 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -46.46 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 71' ' ' VAL . 96.7 m -64.92 -52.03 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.7 mt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD21 HD13 ' B' ' 633' ' ' ILE . 5.5 mt -57.04 -40.69 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -79.67 -34.69 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 67' ' ' THR . 58.2 t -61.36 -43.48 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . . . -51.77 -43.79 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.651 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 68.1 mt-30 -65.43 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.405 HD21 HG12 ' A' ' 71' ' ' VAL . 27.0 m-80 -73.18 -34.71 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.78 -25.52 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.71 -45.1 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.651 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -52.16 -29.21 21.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.99 147.48 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.06 -28.09 8.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m 60.75 100.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -130.72 164.22 25.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.3 t -143.2 78.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.27 68.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.17 -33.31 14.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.2 173.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.92 -33.46 9.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.65 -35.08 58.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.42 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.99 -60.16 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -114.83 129.86 56.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 t -158.16 94.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 95' ' ' THR . 0.9 OUTLIER -141.27 -169.35 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -178.21 137.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.39 -82.56 1.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 119.391 -0.338 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 44.5 mtp -91.72 53.81 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t -113.4 -12.77 12.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 604' ' ' GLN . . . . . 0.536 ' HG3' HD13 ' B' ' 605' ' ' ILE . 20.1 pt20 -89.6 11.27 20.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.536 HD13 ' HG3' ' B' ' 604' ' ' GLN . 0.2 OUTLIER -108.42 -171.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.49 ' H ' HG22 ' B' ' 605' ' ' ILE . 10.0 ptp -64.11 109.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 179.789 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -154.55 101.61 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -115.29 -69.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -109.84 160.57 27.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -19.43 36.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -52.93 -44.93 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 2.4 mtt -89.37 -68.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 3.4 tp 54.91 61.08 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 133.46 -60.1 0.67 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.425 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 62.29 89.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -92.82 178.82 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -158.56 55.32 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.11 -66.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 5.9 mtt -65.78 -26.01 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.99 -31.03 49.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.91 -50.68 49.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -56.32 -49.24 74.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.499 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.86 53.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -61.61 -29.37 70.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.067 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.631 HD21 HG13 ' A' ' 29' ' ' ILE . 10.3 mp -67.8 -42.47 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -68.76 -35.29 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 47.5 t -76.1 -53.15 8.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.409 ' O ' HD12 ' B' ' 629' ' ' LEU . 10.8 tp -64.55 -44.27 91.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.55 55.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.411 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.64 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.42 -37.82 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.543 HD13 HD21 ' A' ' 69' ' ' LEU . 65.9 mt -73.34 -33.12 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.18 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.6 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.36 -31.34 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -52.74 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -29.67 70.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.59 61.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.77 -27.81 33.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -99.56 25.78 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -53.35 -52.83 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -26.38 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.92 -24.25 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -55.6 135.69 50.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -109.66 111.92 23.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -83.08 4.6 80.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 18.96 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.75 -31.16 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.69 -119.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.644 HD12 HG11 ' A' ' 71' ' ' VAL . 60.8 mt -53.69 143.03 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.77 169.84 9.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -62.66 -40.14 96.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.8 -42.89 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.68 91.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -64.58 -51.11 64.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -51.91 -30.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -91.44 -25.22 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -76.23 -52.12 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -55.51 -53.11 60.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -57.8 -57.41 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -52.13 -47.49 65.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 662' ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -60.87 -54.36 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.746 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.1 OUTLIER -51.46 -38.8 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.3 -56.02 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.39 -28.38 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.965 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.76 -37.34 87.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 663' ' ' MET . 46.2 t -72.92 -48.29 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -51.83 -30.78 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.81 62.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.499 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 33.4 t80 -81.22 -58.25 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -55.27 -35.92 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.49 -48.35 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 673' ' ' MET . . . . . 0.403 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 2.3 ttp -52.07 -52.06 53.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 3.0 p -68.4 -25.68 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 3.5 m -71.75 -57.02 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -68.21 -12.33 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -51.47 -45.24 62.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -81.3 -17.07 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -56.92 -22.56 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -56.54 -70.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -35.27 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.6 ttp -51.92 -58.13 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.13 -50.36 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 3.2 ttt 63.15 50.39 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 8.8 ptm -55.27 -28.28 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.82 -43.28 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -80.96 -38.47 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -98.06 99.67 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.0 p -112.47 -73.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.1 62.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.59 -60.78 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.83 -24.67 67.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.012 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.88 -24.92 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -63.2 118.5 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -154.71 -64.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 145.0 -57.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.925 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -149.43 -70.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.808 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.47 -61.3 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tt -174.7 -60.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -116.58 45.78 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.02 -38.21 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -141.92 61.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.4 pt -106.6 152.32 40.69 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.73 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HB3' HG11 ' A' ' 12' ' ' VAL . 53.3 Cg_endo -69.75 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.298 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.611 ' C ' HD22 ' A' ' 11' ' ' LEU . 5.9 pt20 -179.87 -46.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.611 HD22 ' C ' ' A' ' 10' ' ' GLN . 4.4 mm? -130.35 23.24 5.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 21.9 m -60.11 161.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . 72.07 -70.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -52.21 -51.36 58.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -61.51 -34.96 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -170.18 131.26 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.9 64.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -58.66 -44.27 90.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.77 -42.12 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -26.1 60.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -71.01 -50.44 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.34 -28.74 73.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.15 -26.3 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.401 ' HE3' ' HG ' ' B' ' 629' ' ' LEU . 0.1 OUTLIER -55.78 -58.74 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.832 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -57.35 -25.22 59.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.98 -25.78 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -73.02 -46.47 51.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.538 HG23 ' CE1' ' A' ' 58' ' ' PHE . 4.7 mp -73.03 -47.5 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.893 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.65 -47.18 64.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -72.94 -39.85 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.82 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -71.88 -48.53 45.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.78 -40.8 83.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.89 -29.78 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.0 -67.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.1 ptp -58.97 -24.83 63.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.6 t -64.42 -62.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.85 -25.1 60.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.16 -6.93 59.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.65 -24.02 45.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -51.74 135.76 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m170 51.89 55.14 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.96 -74.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.02 30.77 41.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.442 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 63.32 63.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.35 122.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.793 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.15 97.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.0 -42.55 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.01 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -62.69 -34.4 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.94 -54.07 51.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.4 60.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -66.09 -36.28 82.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -30.95 65.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -63.48 -41.87 98.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.538 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.3 t80 -62.69 -54.7 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.49 -32.69 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.12 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.31 -35.21 41.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -53.07 -31.55 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.02 -29.54 70.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.2 tmtp? -74.55 -52.5 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.6 p -66.6 -31.62 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.48 -53.47 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 m -55.28 -49.32 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 64' ' ' LYS . 27.8 mt -51.92 -40.23 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 22' ' ' ALA . 2.8 mt -59.37 -37.02 76.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.72 -32.61 62.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 67' ' ' THR . 41.4 t -74.95 -33.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.76 90.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.661 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 56.6 mt-30 -68.9 -34.47 75.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.4 -35.29 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -76.95 -36.6 56.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -30.97 41.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.49 -64.17 3.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -44.81 66.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -57.46 -47.57 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.58 176.22 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.95 170.21 27.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.6 m 63.2 106.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.193 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -141.35 164.17 30.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.6 t -143.24 78.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.14 68.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.36 -33.6 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.05 -177.06 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.45 161.16 17.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.37 -38.56 34.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.186 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.48 14.97 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.53 -58.64 7.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.1 p -121.08 138.59 54.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.47 -64.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.213 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -120.29 -35.76 3.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.85 -178.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.46 100.24 0.15 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.405 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.394 -0.336 . . . . 0.0 110.864 -179.89 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 77.0 mtp -143.35 -174.49 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.24 -53.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -10.22 51.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.426 HG22 ' HG2' ' B' ' 606' ' ' MET . 18.9 mm -52.89 -72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.426 ' HG2' HG22 ' B' ' 605' ' ' ILE . 0.0 OUTLIER 178.59 47.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.816 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -119.0 144.72 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -122.23 -36.99 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 609' ' ' TYR . . . . . 0.431 ' HA ' ' HD2' ' B' ' 610' ' ' PRO . 10.8 m-85 -126.54 93.72 42.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.75 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 610' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 609' ' ' TYR . 54.0 Cg_endo -69.7 -17.27 37.92 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -74.86 -26.18 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -82.65 -38.21 23.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 103.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 93.11 133.25 6.46 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.493 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -177.86 123.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.833 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 58.62 -175.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 135.3 160.98 9.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -123.47 -36.53 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.318 . . . . 0.0 110.811 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -26.35 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -55.39 -30.98 61.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.0 -33.73 44.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.79 -48.73 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.696 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -54.97 -34.88 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.03 -24.44 35.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -35.07 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.422 HD22 ' N ' ' B' ' 626' ' ' LEU . 3.3 mm? -68.09 -37.02 80.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 627' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 631' ' ' ALA . 21.7 tt0 -69.72 -39.22 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -53.16 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.401 ' HG ' ' HE3' ' A' ' 25' ' ' MET . 12.1 tp -61.49 -52.62 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.4 87.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' B' ' 627' ' ' GLN . . . -57.8 -41.14 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.85 -31.78 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.577 HD13 HD21 ' A' ' 69' ' ' LEU . 80.6 mt -73.14 -35.0 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.98 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.41 -32.37 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.26 -50.99 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.69 -29.82 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.19 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.6 -25.26 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.94 26.46 8.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -54.84 -44.03 73.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -62.31 -26.75 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.68 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -52.41 148.76 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -92.56 -64.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.73 -28.99 13.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -99.61 25.78 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 57.8 p -126.92 24.59 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.34 -107.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.78 143.83 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.11 175.5 5.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -66.54 -38.21 86.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.47 -41.3 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.65 69.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -60.96 -43.9 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.45 -55.91 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.41 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.19 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.93 -51.67 55.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.88 -53.36 41.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -53.44 -46.86 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.88 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.677 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.3 OUTLIER -52.84 -57.8 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -52.27 -35.7 50.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -64.97 -48.98 72.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 663' ' ' MET . 3.4 mt -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 663' ' ' MET . 18.2 t -62.01 -51.27 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.04 -27.45 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.696 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 6.7 t80 -85.61 -58.26 2.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.89 -27.4 51.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.9 -50.47 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -54.15 -40.06 67.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 10.3 t -82.6 -26.89 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 1.4 m -60.83 -60.04 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -67.97 -12.55 60.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.168 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -52.87 -44.34 66.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.26 -17.08 47.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -51.32 -29.04 13.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.1 -39.35 82.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.3 m -59.77 -23.61 63.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 23.0 mtm -51.22 -59.24 4.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.52 -27.84 64.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.23 -170.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.3 mmt -78.74 -26.23 44.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -56.05 -57.84 10.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -58.9 3.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -87.13 95.1 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 1.9 t -112.82 -39.79 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.29 -22.54 20.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.22 -60.83 2.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.17 -24.68 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.22 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.99 169.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -57.2 167.22 0.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -131.99 176.04 19.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.526 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.883 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.18 -38.02 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.34 167.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.95 91.29 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -172.43 48.52 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.67 -47.42 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -164.55 28.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.5 pt -57.85 152.49 37.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 82.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 153.38 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 52.59 51.48 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.2 t -94.2 131.08 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.58 37.48 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -78.77 -32.92 46.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -70.69 -45.04 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 m 60.29 89.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.8 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.95 70.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.547 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 56.8 t80 -56.35 -48.8 76.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.88 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -77.14 -35.97 55.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.592 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -53.49 -50.67 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.58 -25.52 70.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.565 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.67 -30.07 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.586 ' HE2' HD22 ' B' ' 629' ' ' LEU . 31.5 tpp -53.45 -58.97 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -57.93 -24.79 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 m -51.91 -41.89 62.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.8 mp -73.04 -48.37 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.56 -45.74 66.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.526 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -36.73 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.22 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -55.49 -32.69 63.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -39.05 58.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.2 75.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.2 -19.26 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.6 mmt -51.99 -29.79 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -51.9 -44.41 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.448 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . . . -73.59 -24.46 60.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.02 -10.37 59.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.72 -57.03 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 62.68 -82.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.71 25.8 4.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.13 25.72 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 143.44 -84.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -99.1 170.42 8.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t -150.39 149.9 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 t -179.21 111.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.3 71.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.26 47.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.448 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 20.1 t80 -56.16 -44.1 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -54.2 -54.11 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.04 37.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.51 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -74.05 -39.14 63.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.89 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -66.05 -37.06 84.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CD2' ' HB3' ' B' ' 669' ' ' ALA . 3.4 t80 -67.44 -54.83 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.98 -33.67 42.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.38 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -33.16 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -51.56 -31.49 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.18 92.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -60.13 -52.59 64.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' B' ' 666' ' ' LEU . 7.3 p -64.89 -36.43 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -44.64 90.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 m -65.98 -50.25 64.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.456 HD11 ' HD2' ' A' ' 64' ' ' LYS . 54.3 mt -51.58 -34.35 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.592 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -55.47 -54.9 38.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.872 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.0 -40.15 80.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.409 HG11 ' HB ' ' B' ' 650' ' ' ILE . 21.6 t -67.4 -32.89 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.84 -50.29 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 57.0 mt-30 -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.95 -52.5 28.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -63.51 -33.92 76.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.43 HD13 HD12 ' B' ' 640' ' ' LEU . 44.1 mt -79.66 -25.96 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.51 1.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -52.05 -44.97 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.64 -26.73 34.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.94 -70.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.12 -87.27 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.6 m -105.45 133.43 50.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -124.94 175.25 7.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 84' ' ' VAL . 2.6 p -63.8 92.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.71 41.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.0 -25.31 14.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.44 154.65 34.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.04 -177.61 4.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.52 -29.56 37.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.06 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.4 -27.49 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.3 p -100.1 121.77 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.65 179.84 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -167.64 154.0 7.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.64 178.35 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.49 -74.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.543 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 119.334 -0.365 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.898 0.38 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -108.58 71.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 1.7 p -115.89 -24.19 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -89.82 10.91 21.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.1 mm -79.15 -69.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 5.1 ptp -162.38 50.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -123.2 89.37 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -64.12 -67.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -130.29 93.56 32.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.66 0.743 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -10.48 28.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.15 61.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 8.9 ptm -90.41 -25.43 20.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 1.9 tt -111.25 95.09 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 136.41 -166.91 24.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -160.58 -49.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 59.86 172.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 79.15 173.11 43.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -99.37 65.26 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 1.4 mtt -72.69 -26.02 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.54 -30.95 33.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -39.68 56.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -57.07 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.547 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -55.93 -40.62 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.0 -26.89 28.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.6 m -68.6 -42.0 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 0.0 111.113 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.35 -45.02 85.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 627' ' ' GLN . . . . . 0.535 ' CB ' HG11 ' B' ' 667' ' ' VAL . 6.2 tt0 -55.07 -44.35 74.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.1 t -65.24 -52.81 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.586 HD22 ' HE2' ' A' ' 25' ' ' MET . 0.9 OUTLIER -55.49 -41.48 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.93 49.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -64.0 -35.83 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 111.046 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.81 -42.97 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.17 -32.72 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.96 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.054 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 631' ' ' ALA . 75.6 t -56.62 -51.49 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -53.63 -36.98 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -31.62 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.72 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.79 -24.57 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 76' ' ' LEU . 11.9 mt -106.33 25.73 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -52.04 -48.18 64.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.7 p -55.62 -26.27 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.67 -31.68 32.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -52.05 149.18 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -93.7 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.31 -24.25 26.12 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.95 26.14 4.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 35.5 p -115.82 -27.53 7.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.11 -73.1 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.409 ' HB ' HG11 ' A' ' 71' ' ' VAL . 62.2 mt -95.57 127.28 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.52 160.6 22.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -51.98 -41.79 62.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.95 -42.67 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.55 94.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -64.78 -51.99 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -29.97 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.75 -47.84 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -59.0 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.463 ' CZ3' HG23 ' A' ' 65' ' ' VAL . 68.4 t-105 -52.01 -43.92 63.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.99 -51.45 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.02 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.47 46.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.806 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.7 OUTLIER -53.32 -51.4 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -32.98 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.94 -42.41 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' B' ' 663' ' ' MET . 8.9 mt -60.77 -54.91 39.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.535 HG11 ' CB ' ' B' ' 627' ' ' GLN . 25.3 m -60.43 -37.48 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -70.38 -33.75 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.12 -51.36 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.547 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 30.6 t80 -53.59 -48.15 69.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 672' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -53.29 -30.37 38.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 39.3 ttp -65.96 -32.15 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 7.3 m -81.35 -0.88 43.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 -179.738 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 8.4 t -59.02 -21.45 59.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -16.94 57.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.113 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -52.73 57.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 678' ' ' GLU . . . . . 0.694 ' O ' HG22 ' B' ' 681' ' ' THR . 0.7 OUTLIER -73.57 -17.99 61.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.937 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.711 ' HB1' ' CE ' ' B' ' 682' ' ' MET . . . -57.55 -22.36 44.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -53.07 -36.5 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 681' ' ' THR . . . . . 0.694 HG22 ' O ' ' B' ' 678' ' ' GLU . 14.1 t -61.8 -28.16 69.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 682' ' ' MET . . . . . 0.711 ' CE ' ' HB1' ' B' ' 679' ' ' ALA . 67.9 mtm -51.31 -30.67 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.882 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.56 -31.57 24.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 11.6 ttt -61.88 145.51 52.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -39.42 92.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.6 -39.49 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -48.54 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -56.04 102.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 67.4 p -137.38 -53.9 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.33 -23.04 20.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.73 -60.85 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.65 67.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.52 -25.11 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -42.09 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -57.77 -59.89 4.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -179.39 -115.98 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.907 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.13 -60.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.779 -179.752 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.15 148.73 22.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -140.33 -55.32 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -162.2 54.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.57 -30.74 13.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -175.31 33.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 pt -68.63 152.48 96.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 85.28 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.22 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.72 165.99 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 mp 52.94 31.47 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -93.78 129.67 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.27 41.14 29.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.5 p -52.46 -33.55 44.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -49.06 71.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.58 100.55 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.46 -28.95 12.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.96 -50.69 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.92 64.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.06 76.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -38.48 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.72 76.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.33 -31.47 68.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.11 -25.7 58.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.5 ' HA ' HD13 ' B' ' 629' ' ' LEU . 1.3 ttm -59.7 -58.93 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -52.07 -39.08 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.06 -41.75 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.0 m -70.85 -41.83 70.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.652 HD13 ' CD1' ' B' ' 626' ' ' LEU . 40.5 mm -53.0 -45.09 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.48 -36.19 54.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -34.04 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.8 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.91 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.67 -35.58 42.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.3 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.24 -21.03 56.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 mmt -51.92 -30.15 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 m -51.97 -42.69 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.47 -25.56 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.52 -13.26 61.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.72 -42.01 74.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 63.46 -82.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.43 -25.14 17.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -30.15 70.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.6 -70.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.32 166.5 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 t -174.19 175.32 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.8 p -148.5 173.1 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.52 -48.63 12.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.13 -24.98 44.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.085 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -56.14 -34.46 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.04 -54.01 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.48 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.87 -39.13 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -63.14 -35.62 80.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.92 65.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.7 -41.64 98.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.504 ' HE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -63.07 -54.81 32.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.95 -32.93 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -41.47 27.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.427 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -51.77 -31.5 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.61 -35.66 77.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HG3' ' HB2' ' B' ' 662' ' ' ALA . 2.7 tptm -69.26 -53.44 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.755 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.4 p -57.5 -45.64 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -60.53 -41.16 93.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 71' ' ' VAL . 24.4 m -67.44 -26.98 66.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 65' ' ' VAL . 38.5 mt -69.59 -44.84 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -55.31 -40.4 71.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 67' ' ' THR . 85.2 t -76.05 -47.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.94 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.623 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 60.5 mt-30 -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.01 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -81.16 -38.78 26.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' B' ' 640' ' ' LEU . 96.4 mt -78.13 -26.35 47.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.13 -72.53 2.28 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.91 -40.19 60.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -57.84 -37.96 74.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -83.6 -70.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.56 116.5 0.51 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.501 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.9 m -158.8 142.22 14.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -124.83 173.3 8.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.9 t -74.3 86.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.75 66.57 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.99 -32.5 20.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 152.25 40.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.8 161.18 40.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.176 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.32 -34.11 75.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.01 -25.74 59.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.0 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -68.86 151.39 46.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.792 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 m -137.44 152.83 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -74.61 154.13 38.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.4 m -100.41 125.55 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.74 -93.68 2.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 119.284 -0.389 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.29 72.34 9.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 4.9 p -115.96 -24.55 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.86 10.93 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.1 mm -78.61 -69.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 15.9 ptm -161.88 49.57 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -122.8 165.3 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.04 -61.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -124.48 93.6 46.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.751 0.786 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -36.54 10.7 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -60.4 -27.95 67.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -39.03 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' B' ' 676' ' ' THR . 8.4 tp -59.32 111.63 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 67.77 159.75 1.31 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -171.28 -52.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.301 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -174.19 -172.63 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 155.73 -173.12 33.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -36.45 57.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.698 0.285 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 1.9 ptp -63.67 -28.27 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.56 -30.99 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.02 -34.56 46.72 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -53.04 -53.56 48.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.47 43.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -60.35 -24.23 61.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 41.2 m -75.67 -41.01 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.86 0.362 . . . . 0.0 111.174 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.652 ' CD1' HD13 ' A' ' 29' ' ' ILE . 3.8 mm? -65.79 -53.99 32.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -32.4 65.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 8.6 t -72.61 -36.5 68.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -74.35 -51.3 15.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.97 -44.18 61.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -62.88 -40.79 98.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.91 -40.05 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.24 -46.75 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.63 -33.8 64.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 631' ' ' ALA . 69.1 t -77.34 -31.22 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.13 -52.79 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.72 -29.75 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.7 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.32 29.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.494 ' CD1' HD13 ' A' ' 76' ' ' LEU . 9.4 mt -99.55 26.8 5.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -60.89 -45.48 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -26.59 66.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.81 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -52.6 149.42 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -94.19 -64.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.48 -19.19 42.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.57 25.83 11.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 21.7 p -126.91 24.54 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.47 -115.79 2.6 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.18 144.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.357 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 651' ' ' THR . . . . . 0.421 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -97.84 171.81 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 652' ' ' TYR . . . . . 0.421 ' H ' HG22 ' B' ' 651' ' ' THR . 55.6 p90 -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -74.07 -42.73 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 654' ' ' ALA . . . . . 0.492 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -67.14 -39.91 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -65.43 -47.27 76.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.45 -51.45 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.6 -41.03 72.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.492 HE21 ' HB1' ' B' ' 654' ' ' ALA . 33.0 mt-30 -56.17 -52.95 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.44 ' HE3' HD13 ' A' ' 68' ' ' LEU . 61.5 t-105 -52.13 -56.52 14.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.65 -40.12 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -64.58 -38.85 92.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 662' ' ' ALA . . . . . 0.53 ' HB2' ' HG3' ' A' ' 64' ' ' LYS . . . -73.4 -54.71 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.746 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.2 OUTLIER -53.8 -47.48 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.96 -34.0 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -73.07 -32.71 65.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' B' ' 663' ' ' MET . 9.4 mt -70.96 -54.15 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 668' ' ' ARG . 14.7 m -51.94 -44.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 668' ' ' ARG . . . . . 0.412 ' N ' HG23 ' B' ' 667' ' ' VAL . 15.3 ptt180 -70.7 -30.89 67.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.13 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -82.52 -56.36 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -61.56 -31.41 71.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -66.9 -49.73 64.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 8.4 tmm? -64.23 -32.51 74.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 2.0 t -80.24 -28.05 38.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 47.5 t -67.9 -59.15 3.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.415 ' HA ' HD21 ' B' ' 613' ' ' LEU . 1.7 m -64.77 -20.63 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -51.97 -29.94 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -54.96 -26.8 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -55.86 -25.16 40.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -53.08 -54.52 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 20.1 p -74.07 -30.52 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 12.9 mtm -51.95 -59.72 4.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -83.16 -27.25 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.05 -177.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.5 ttp -89.18 -30.18 18.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -53.69 -57.52 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -43.0 71.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -99.65 80.66 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 12.5 t -113.82 -31.35 6.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.832 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.43 -23.2 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.92 -60.82 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.64 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.16 -25.11 29.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.3 154.21 8.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -100.26 105.85 17.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 143.96 -111.97 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.413 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.463 -179.902 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.734 0.302 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.57 26.95 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.763 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.11 149.59 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mt -113.86 177.7 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -131.37 37.32 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.04 -58.57 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -136.96 74.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.1 pt -120.03 152.45 54.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 79.8 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.712 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -76.08 -37.46 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.712 HD22 ' O ' ' A' ' 10' ' ' GLN . 3.8 mm? -133.54 78.03 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -127.74 -40.2 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.27 34.92 4.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -55.53 -28.84 57.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -54.83 -54.85 36.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.82 104.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.26 -30.38 7.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.74 -51.18 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.46 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.55 90.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -33.58 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.7 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.71 93.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD23 HD22 ' B' ' 629' ' ' LEU . 0.4 OUTLIER -65.35 -26.04 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.486 ' HE3' ' HG ' ' B' ' 629' ' ' LEU . 0.0 OUTLIER -58.76 -58.7 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.869 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.44 -25.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -68.56 -48.89 63.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.421 HG21 HD23 ' B' ' 626' ' ' LEU . 1.2 m -54.58 -54.2 44.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.699 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.8 mp -66.51 -48.44 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.09 -47.03 68.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -73.15 -48.85 31.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.1 -27.75 54.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -74.35 -32.82 62.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -56.84 -46.2 81.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.61 -30.4 60.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' ' HZ ' ' A' ' 51' ' ' PHE . . . -74.16 -23.26 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.1 mmt -51.9 -29.95 22.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 m -52.43 -47.34 66.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 51' ' ' PHE . . . -62.06 -23.54 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -7.01 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.61 ' HB1' ' HB2' ' A' ' 44' ' ' GLN . . . -55.77 -57.26 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 52.75 24.18 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 177.95 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.61 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -51.85 -30.69 24.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.906 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.08 -57.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -139.79 -170.46 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 p -144.79 -179.5 6.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 p -179.29 119.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.03 -52.79 6.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.38 -24.65 45.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.576 ' HZ ' ' HB1' ' A' ' 36' ' ' ALA . 46.7 t80 -56.38 -37.61 70.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -63.96 -54.01 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.18 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.11 -35.93 48.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -63.67 -33.52 75.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.63 68.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -66.2 -37.96 86.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.699 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 77.9 t80 -66.92 -54.84 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.55 -32.43 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.69 77.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.35 -38.49 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.12 59.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.05 -30.56 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.5 OUTLIER -66.95 -52.53 41.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.528 HG21 HD13 ' B' ' 666' ' ' LEU . 17.1 t -64.32 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.6 -48.82 75.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 71' ' ' VAL . 92.3 m -58.12 -51.79 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.34 -35.65 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.17 -40.9 78.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.15 -32.62 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 67' ' ' THR . 61.5 t -70.96 -36.14 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.01 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 37.0 mt-30 -69.79 -36.6 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 -32.96 73.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.03 -39.32 34.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.39 -31.25 67.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.21 -62.22 3.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -52.13 -39.29 59.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -60.03 -63.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -103.76 -72.87 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.14 20.11 8.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -69.17 172.11 7.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 -179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -96.4 -178.34 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 84' ' ' VAL . 2.6 p -63.09 93.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.1 36.68 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.66 -26.47 21.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 61.93 -173.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.82 -33.34 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.95 -47.14 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.49 -56.66 13.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.82 37.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.6 -179.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.505 HG23 ' H ' ' A' ' 95' ' ' THR . 14.3 t -73.65 170.65 14.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -55.36 -31.25 61.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.505 ' H ' HG23 ' A' ' 93' ' ' THR . 17.4 m 58.02 91.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.27 -149.53 9.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.827 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 11.9 mtp -138.87 50.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 92.3 p -112.7 -11.83 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 604' ' ' GLN . . . . . 0.529 ' HG3' HD13 ' B' ' 605' ' ' ILE . 16.4 pt20 -89.71 11.31 20.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.529 HD13 ' HG3' ' B' ' 604' ' ' GLN . 0.1 OUTLIER -109.31 -171.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 179.9 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.456 ' H ' HG22 ' B' ' 605' ' ' ILE . 6.7 ptm -64.07 109.8 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -154.63 50.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -90.09 -26.95 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -115.05 160.49 33.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -23.13 31.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.377 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.88 50.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -27.48 31.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.479 HD11 HG23 ' B' ' 676' ' ' THR . 0.2 OUTLIER -56.64 136.77 54.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 110.12 -105.91 2.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 4.7 t60 61.79 91.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -171.51 -178.84 2.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -152.29 58.23 0.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.433 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -154.12 -60.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -28.97 69.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.54 82.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.01 93.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -53.29 -50.39 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -68.18 -33.99 75.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.067 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.12 -25.09 45.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 93.7 m -69.75 -30.0 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.628 HD13 HD21 ' B' ' 666' ' ' LEU . 90.8 mt -67.46 -39.97 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.53 -37.18 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 12.4 t -76.2 -53.19 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.486 ' HG ' ' HE3' ' A' ' 25' ' ' MET . 12.7 tp -64.12 -52.29 59.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.89 -46.75 54.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.608 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -58.18 -36.89 73.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.072 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.49 -36.05 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.53 -45.23 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.31 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 631' ' ' ALA . 80.1 t -77.43 -31.2 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.16 -52.83 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -29.7 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.73 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.61 -25.17 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.0 mt -100.7 27.57 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.69 -39.7 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.5 m -66.24 -26.62 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.22 57.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -52.61 145.74 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -91.38 -64.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 90.93 19.68 42.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.17 26.18 3.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 58.1 p -119.4 -30.93 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.85 -71.44 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.405 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.402 HD12 HG11 ' A' ' 71' ' ' VAL . 61.2 mt -99.8 144.12 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.04 172.9 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.57 -38.39 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -73.47 -41.16 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.63 -48.53 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -54.42 -47.13 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -54.83 -26.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.78 -44.72 9.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -57.95 -51.51 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -52.01 -59.11 4.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -57.32 -51.96 67.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.9 -31.29 39.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 662' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.41 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.456 ' O ' HG23 ' B' ' 667' ' ' VAL . 1.4 mmt -53.71 -30.26 42.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.33 -56.28 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -76.17 -32.89 59.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.628 HD21 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -65.2 -34.24 77.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.914 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 663' ' ' MET . 5.9 t -70.3 -52.59 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -68.12 -30.33 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -35.23 66.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 52.5 t80 -85.55 -53.14 5.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -52.07 -44.99 64.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -63.48 -46.89 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -57.17 -35.91 70.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 66.9 m -80.77 -29.86 36.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 3.7 m -61.64 -52.6 63.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.544 ' HA ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -74.53 -9.63 58.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.127 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -53.28 -54.49 35.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -82.62 -25.11 33.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.647 ' HB1' ' CE ' ' B' ' 682' ' ' MET . . . -72.98 -16.53 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -50.5 -50.02 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.45 -32.8 62.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 682' ' ' MET . . . . . 0.647 ' CE ' ' HB1' ' B' ' 679' ' ' ALA . 25.4 ttp -51.31 -49.85 60.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.45 69.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.3 ttm 63.33 169.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.79 -34.24 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.03 70.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -49.48 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.99 93.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 13.3 p -123.78 -67.45 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -59.23 -24.84 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.73 -60.82 2.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.92 -24.82 67.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -87.33 -24.78 24.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.03 132.23 32.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -99.15 87.54 3.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 174.83 -35.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.957 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.755 0.312 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.57 150.58 45.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.03 173.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 132.3 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 53.42 33.16 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.1 -41.14 5.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -59.78 -27.56 66.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -74.2 152.54 88.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.63 0.728 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 83.2 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -111.83 146.1 38.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp 63.27 21.26 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.88 132.88 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.33 44.62 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -58.01 -31.54 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -37.63 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 p -102.95 97.2 7.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.26 -25.43 61.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -52.86 -51.75 59.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.07 86.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -35.67 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -36.68 57.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -58.28 -40.24 81.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.41 60.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -26.13 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.5 tpp -63.15 -58.45 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -55.66 -26.08 42.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -70.07 -32.25 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -70.06 -41.74 73.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.5 mp -73.02 -46.52 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -46.09 84.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -72.91 -41.84 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.85 69.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -72.09 -46.92 54.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -52.23 -33.83 43.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.03 -48.04 67.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.84 -28.79 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.8 mtt -82.32 -45.74 14.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 m -52.13 -52.7 49.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.24 -26.87 68.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.084 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -85.16 -6.91 59.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.92 -22.5 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -51.76 -30.4 22.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -167.01 78.08 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -73.01 129.63 38.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 147.22 -23.35 1.57 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -125.74 139.78 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.13 119.75 18.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.765 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.2 m -63.0 138.34 58.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.37 -40.29 67.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.513 ' HB1' HG21 ' B' ' 676' ' ' THR . . . -62.86 -46.44 87.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -56.24 -34.29 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.73 -53.98 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -35.66 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HB1' ' HG3' ' B' ' 673' ' ' MET . . . -78.04 -33.26 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -70.95 -33.41 70.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.18 -31.13 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.98 -43.67 98.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.22 -54.53 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -61.36 -32.42 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.66 -33.04 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' B' ' 666' ' ' LEU . . . -79.41 -39.19 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.66 -31.27 24.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.96 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.705 ' HG2' ' HB2' ' B' ' 662' ' ' ALA . 0.0 OUTLIER -73.5 -52.62 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.409 HG13 ' CH2' ' B' ' 659' ' ' TRP . 32.9 t -54.28 -36.76 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.69 -44.66 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.0 m -60.09 -38.33 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.4 -28.4 56.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 HD13 ' B' ' 633' ' ' ILE . 10.6 mt -63.49 -37.55 87.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.88 -37.28 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 67' ' ' THR . 91.8 t -70.31 -34.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.56 -50.08 70.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 58.9 mt-30 -71.63 -34.03 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.27 74.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.3 -40.41 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.66 -32.89 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.76 -64.04 3.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -52.02 -35.21 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -55.98 -54.15 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.81 -75.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.77 41.58 0.31 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -154.91 171.72 19.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.338 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -153.92 160.4 42.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 84' ' ' VAL . 4.2 p -131.18 80.63 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.52 59.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.32 -29.54 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 t70 62.72 166.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.15 -179.3 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.18 69.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.75 88.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -55.58 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.86 104.57 14.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.43 153.52 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -118.81 158.04 26.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.7 141.63 47.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -91.35 -142.05 10.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 119.355 -0.355 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.897 0.379 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.97 72.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 91.6 p -116.0 -24.43 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -89.9 10.84 22.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.55 -69.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 10.9 ptm -161.83 49.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.94 65.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.24 -62.92 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -120.22 93.71 48.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.722 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 82.02 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -77.51 -47.82 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -47.53 18.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' B' ' 676' ' ' THR . 0.1 OUTLIER -54.22 106.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 142.53 -129.76 3.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.512 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 615' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' B' ' 616' ' ' ALA . 0.1 OUTLIER 69.26 -75.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 616' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 615' ' ' HIS . . . 69.01 -77.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 101.31 -111.29 4.08 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -27.24 63.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.61 -40.19 95.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.26 -31.05 41.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.77 -43.5 94.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.1 -45.99 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -65.65 -54.65 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.03 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.58 -25.03 33.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 78.2 m -62.1 -33.61 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 626' ' ' LEU . 4.1 mm? -64.23 -48.56 75.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 627' ' ' GLN . . . . . 0.644 ' HB2' HG21 ' B' ' 667' ' ' VAL . 5.0 tm0? -61.74 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -48.23 82.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.78 -51.57 54.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.21 -31.67 34.65 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.62 69.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.78 -37.98 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.552 HD13 HD21 ' A' ' 69' ' ' LEU . 51.0 mt -73.53 -33.86 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -65.12 -53.65 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.6 -40.39 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.24 -37.06 85.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -31.89 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.2 -24.66 59.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.17 -24.63 34.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 15.4 mt -106.67 39.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -66.75 -44.95 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.8 m -55.43 -26.27 40.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.34 -33.37 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -52.92 139.12 28.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -87.66 -58.85 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.19 -22.03 36.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -98.74 26.51 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 15.2 p -112.68 -30.31 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 168.08 -80.28 0.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.465 HD12 HG11 ' A' ' 71' ' ' VAL . 60.2 mt -85.4 143.72 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.7 174.32 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.43 -38.75 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 653' ' ' GLN . . . . . 0.414 ' OE1' ' HB2' ' B' ' 654' ' ' ALA . 0.0 OUTLIER -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 654' ' ' ALA . . . . . 0.414 ' HB2' ' OE1' ' B' ' 653' ' ' GLN . . . -68.69 -44.58 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -59.77 -48.43 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.27 -55.24 36.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -57.17 -54.02 51.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -56.11 -52.75 63.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.427 ' O ' ' HB3' ' B' ' 662' ' ' ALA . 54.2 t-105 -51.86 -56.23 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -50.98 -57.6 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.36 -26.87 61.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 662' ' ' ALA . . . . . 0.705 ' HB2' ' HG2' ' A' ' 64' ' ' LYS . . . -71.28 -54.51 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.49 ' O ' HG23 ' B' ' 667' ' ' VAL . 60.7 mmm -58.88 -44.2 91.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -68.03 -32.14 72.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -66.25 -53.91 31.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -67.29 -34.24 76.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' B' ' 627' ' ' GLN . 2.5 t -56.31 -47.22 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -70.37 -31.55 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.69 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 41.0 t80 -78.45 -55.18 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -51.99 -30.09 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.12 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 673' ' ' MET . . . . . 0.454 ' HG3' ' HB1' ' A' ' 54' ' ' ALA . 40.6 mtp -53.23 -35.89 60.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.61 -36.22 26.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 675' ' ' SER . . . . . 0.412 ' OG ' HD23 ' B' ' 613' ' ' LEU . 27.7 t -60.34 -50.03 75.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.575 ' HA ' HD21 ' B' ' 613' ' ' LEU . 1.1 m -75.86 -11.52 59.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -52.78 -28.91 24.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.2 -23.87 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -52.0 -29.16 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.65 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -25.25 59.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -38.6 88.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.78 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.1 ttt -52.0 155.76 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.1 mmt -72.12 -28.72 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.62 -43.07 65.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.74 -34.42 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -122.8 79.4 1.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 13.9 t -104.19 -31.86 9.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.202 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.25 -23.39 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.64 -60.85 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.68 67.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.35 -25.26 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -53.92 -42.01 68.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -56.69 -45.86 81.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 104.72 -70.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.921 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.87 130.23 49.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.829 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt 55.67 91.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.04 128.0 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 t0 60.7 66.52 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.84 -60.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -139.25 29.89 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.0 pt -57.37 152.53 32.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -164.66 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.604 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 178.98 111.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 mp 57.69 23.19 9.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.604 HG23 ' H ' ' A' ' 10' ' ' GLN . 94.0 t -81.65 -40.36 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.15 41.18 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -65.14 -37.53 87.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -64.29 -26.66 68.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 t -172.55 104.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.806 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.1 -27.41 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.21 -48.59 72.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.76 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.63 -31.76 69.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -49.67 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.591 ' CB ' HD22 ' A' ' 69' ' ' LEU . . . -54.09 -42.23 69.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -25.66 72.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.85 55.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.588 ' HB2' HD11 ' B' ' 633' ' ' ILE . 44.1 tpp -64.39 -57.53 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -55.72 -25.86 42.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.488 ' CG2' HD12 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -64.47 -50.21 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.917 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.693 HG13 HD21 ' B' ' 626' ' ' LEU . 4.1 mp -66.99 -48.31 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -47.13 65.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -72.96 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -27.87 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -72.31 -33.38 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -63.43 -33.89 76.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.44 -38.55 74.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.91 -29.06 69.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.0 mmt -64.97 -32.06 73.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 p -57.92 -35.43 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.52 -31.06 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -85.19 -7.03 59.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.63 -21.77 54.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -51.75 -30.67 23.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -132.77 -48.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 59.95 67.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.32 -51.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -129.03 168.53 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.2 159.67 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.4 -176.0 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.1 -57.42 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.34 -47.17 72.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -62.82 -34.3 77.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.34 -54.09 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.41 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -64.4 -36.36 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.61 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.61 -35.5 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 89.7 t80 -69.03 -54.83 13.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.73 -32.38 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.03 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.85 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.41 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.13 79.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 3.9 tmtp? -61.85 -40.88 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.967 HG21 HD22 ' B' ' 666' ' ' LEU . 18.5 t -71.42 -46.01 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -63.29 -50.86 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -54.88 -51.94 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.5 mt -51.92 -43.39 63.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.591 HD22 ' CB ' ' A' ' 22' ' ' ALA . 18.5 mt -58.99 -34.13 71.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -32.15 61.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.532 HG11 HD12 ' B' ' 650' ' ' ILE . 94.0 t -75.49 -51.13 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB2' ' NE1' ' B' ' 655' ' ' TRP . . . -51.62 -50.77 59.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.685 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 94.5 mt-30 -57.99 -33.45 68.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.48 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -71.58 -14.99 62.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -24.89 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.16 -88.22 0.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.571 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -52.08 -31.15 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -51.8 -31.82 28.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -101.89 -64.7 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.34 -30.79 2.09 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.43 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.1 m -130.09 132.37 46.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.713 0.292 . . . . 0.0 111.09 -179.759 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.568 ' HE1' ' HB3' ' A' ' 85' ' ' ALA . 6.8 p90 -68.67 163.7 23.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.0 t -136.09 78.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.568 ' HB3' ' HE1' ' A' ' 83' ' ' TYR . . . -103.81 41.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.34 -43.14 83.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -114.33 177.5 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.32 -172.24 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.49 -47.49 55.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.1 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.7 -53.81 14.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.5 p -54.34 108.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 160.95 18.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 60.75 176.91 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m 59.93 98.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.189 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.01 -89.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.812 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -106.23 72.54 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 3.2 p -115.94 -24.45 8.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -89.8 10.85 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.1 mm -78.65 -69.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 19.2 ptp -161.17 48.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -122.66 -36.28 2.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.34 -75.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -125.69 160.47 55.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.687 0.756 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.89 36.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -73.46 -41.84 62.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -32.63 68.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.32 133.3 45.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 111.8 136.82 7.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -168.24 79.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -175.53 -176.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -142.98 -145.46 4.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 72.27 -69.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.809 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -29.21 70.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.52 -31.01 33.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.57 -50.14 54.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -57.18 13.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.947 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -52.92 -43.27 66.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.2 -26.71 29.47 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 60.9 m -59.57 -48.49 81.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.717 ' CD2' HD11 ' B' ' 666' ' ' LEU . 9.2 mp -57.74 -43.32 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -47.49 66.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.1 m -76.02 -30.97 58.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -51.43 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.16 94.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 631' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.26 -42.18 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.93 -38.97 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 25' ' ' MET . 65.2 mt -73.27 -45.02 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.11 75.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 635' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 631' ' ' ALA . 92.7 t -71.78 -31.27 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.97 -52.73 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -68.38 -30.88 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -55.23 -27.53 46.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.29 41.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.05 23.5 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -55.08 -40.01 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.7 m -70.25 -19.09 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.85 -13.33 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -51.49 151.02 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -105.72 -33.98 7.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.02 27.94 23.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.19 16.93 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 19.5 p -121.04 -31.28 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 164.37 -84.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.532 HD12 HG11 ' A' ' 71' ' ' VAL . 57.3 mt -64.52 139.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 111.024 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 651' ' ' THR . . . . . 0.445 ' H ' ' HB3' ' B' ' 654' ' ' ALA . 0.3 OUTLIER -95.9 160.71 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -51.21 -45.01 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -75.19 -41.95 56.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 654' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' B' ' 651' ' ' THR . . . -57.03 -50.19 73.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 655' ' ' TRP . . . . . 0.47 ' NE1' ' HB2' ' A' ' 72' ' ' ALA . 29.0 t90 -54.2 -40.79 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.69 -55.96 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.36 -22.56 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.1 -52.68 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.452 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 58.1 t-105 -55.68 -52.2 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.59 -58.52 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -51.67 -45.34 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 662' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -62.56 -54.43 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.725 ' O ' HG23 ' B' ' 667' ' ' VAL . 36.3 tpp -51.57 -37.33 49.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.63 -56.04 27.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.91 -28.2 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.967 HD22 HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -65.97 -38.33 88.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.725 HG23 ' O ' ' B' ' 663' ' ' MET . 85.8 t -65.87 -51.32 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.839 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -65.55 -39.1 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.18 -25.24 46.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 670' ' ' TYR . . . . . 0.56 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 84.5 t80 -85.06 -54.96 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.94 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.8 ttp -52.28 -50.79 61.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 2.0 t -82.78 -26.63 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 1.6 t -57.53 -31.8 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.17 -8.14 49.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -56.54 -25.61 52.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -70.55 -21.34 62.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -52.29 -28.78 20.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -51.61 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.3 p -74.04 -27.14 60.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -32.99 68.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -61.69 -68.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.73 167.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.68 -46.28 7.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -54.41 -33.95 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -27.73 41.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -93.6 67.49 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 11.8 t -117.78 -32.07 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.3 -23.75 20.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.02 -60.75 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -61.84 -24.63 67.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -83.83 -25.13 30.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 176.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -116.03 125.98 53.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -96.51 -56.86 1.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.918 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m 57.98 48.07 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.22 119.0 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.76 -174.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 55.1 69.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.72 -60.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.27 38.67 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 pt -81.57 152.42 69.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.612 0.72 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.628 2.219 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.534 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 179.26 117.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp 57.53 24.05 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.534 HG23 ' H ' ' A' ' 10' ' ' GLN . 73.4 t -87.69 140.06 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 17' ' ' ALA . . . 53.33 33.09 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -83.05 -30.72 27.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -53.12 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 104.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . . . -112.07 -25.58 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -64.05 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.95 83.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.97 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -39.55 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' HA ' HD11 ' A' ' 69' ' ' LEU . . . -54.12 -46.04 72.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.87 72.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.37 -31.23 62.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.516 ' HE2' HD22 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -63.89 -58.72 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.795 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.61 -29.22 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -67.21 -39.79 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.503 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.7 OUTLIER -65.17 -48.33 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.86 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.668 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.7 mp -67.18 -46.1 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.04 -45.63 93.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -73.1 -49.54 27.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.27 -27.74 66.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -48.2 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.57 -33.8 68.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.18 -39.11 66.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.9 81.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.5 mmt -54.84 -59.4 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -52.82 -48.22 67.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.98 -23.88 63.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -80.02 -6.94 58.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.49 -18.9 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.69 -31.15 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.34 114.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -114.61 116.68 29.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.8 -116.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -132.52 65.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 m -158.35 50.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -134.25 71.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.01 -57.59 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.19 -32.77 74.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -73.35 -34.77 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.71 -54.08 18.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.88 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.86 88.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -68.64 -40.31 80.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -66.37 -35.06 79.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.668 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 72.0 t80 -69.39 -54.86 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.96 -32.23 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.36 86.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.83 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.52 -31.54 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.33 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.4 OUTLIER -65.7 -53.09 45.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.001 HG21 HD22 ' B' ' 666' ' ' LEU . 24.0 t -56.88 -43.67 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.085 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.99 -45.72 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.0 m -62.77 -52.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.08 -34.06 76.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 22' ' ' ALA . 31.9 tp -62.32 -40.13 95.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.41 -41.74 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 67' ' ' THR . 67.1 t -54.23 -44.53 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' O ' HD12 ' A' ' 76' ' ' LEU . . . -52.12 -52.38 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.582 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 82.1 mt-30 -59.68 -41.67 91.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -27.07 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.64 -48.54 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' B' ' 640' ' ' LEU . 3.3 mp -71.09 -32.66 69.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.37 -58.25 4.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -35.03 42.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -59.99 -54.69 43.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.89 -75.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.57 -171.23 39.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.5 t -105.32 168.79 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.118 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 32.0 p90 -161.91 164.84 28.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.59 85.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 83' ' ' TYR . . . -94.28 77.43 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.9 -42.29 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.73 -171.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.44 177.85 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.47 -37.09 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -51.73 -30.03 20.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.32 87.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -86.17 105.27 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.5 p -110.27 -24.26 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 95' ' ' THR . 45.0 m-85 -101.28 151.19 22.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -178.27 131.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.077 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.3 137.92 2.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.853 -179.921 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 11.8 mtp -99.5 22.04 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 98.9 p -91.3 -9.08 46.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.797 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 604' ' ' GLN . . . . . 0.515 ' HG3' HD13 ' B' ' 605' ' ' ILE . 29.5 pt20 -89.76 11.06 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 605' ' ' ILE . . . . . 0.515 HD13 ' HG3' ' B' ' 604' ' ' GLN . 0.2 OUTLIER -109.57 -171.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.918 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 606' ' ' MET . . . . . 0.477 ' H ' HG22 ' B' ' 605' ' ' ILE . 2.8 ptm -64.53 93.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -136.56 102.3 4.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -72.71 -73.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -117.37 160.6 37.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.587 0.708 . . . . 0.0 110.983 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -15.79 37.55 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.69 -30.56 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 9.0 ptm -85.28 -30.14 24.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.798 HD21 ' HB1' ' B' ' 679' ' ' ALA . 51.8 tp -62.36 148.31 45.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -55.46 162.27 5.24 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -107.63 -70.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -167.96 -70.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 58.05 -156.2 19.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.04 40.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 2.8 mtt -70.62 -27.58 64.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.54 -31.61 36.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -59.26 -40.73 96.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -62.01 -38.14 87.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.13 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.44 -34.78 42.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 28.4 m -55.97 -44.69 78.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 111.15 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.406 ' CD1' HG22 ' A' ' 28' ' ' THR . 6.6 mp -68.29 -47.06 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -53.55 -36.86 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 49.0 m -76.21 -52.96 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 629' ' ' LEU . . . . . 0.516 HD22 ' HE2' ' A' ' 25' ' ' MET . 1.1 tt -54.21 -48.63 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.51 -45.96 53.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.46 -33.58 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.77 -42.13 75.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.541 HD13 ' CZ2' ' B' ' 659' ' ' TRP . 2.7 mp -73.35 -33.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.05 76.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.3 p -77.69 -30.95 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -52.85 62.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -29.42 68.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.866 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.51 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.63 -20.63 39.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 640' ' ' LEU . . . . . 0.506 ' HB2' HD21 ' A' ' 76' ' ' LEU . 18.9 mt -106.03 28.66 7.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -56.89 -25.6 57.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.34 20.22 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -119.71 -31.38 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -51.95 143.94 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -93.89 -55.78 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.67 -19.96 47.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.26 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.4 p -117.71 -29.92 5.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 165.88 -96.35 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.478 HD12 HG11 ' A' ' 71' ' ' VAL . 61.8 mt -70.66 142.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.75 164.71 14.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -59.63 -41.18 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.37 -42.88 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.29 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -66.36 -51.35 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.31 -29.72 24.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.83 -23.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -76.31 -52.87 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.541 ' CZ2' HD13 ' B' ' 633' ' ' ILE . 28.1 t-105 -55.97 -46.63 78.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -60.99 -57.97 10.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -54.28 -38.86 66.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 662' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -67.47 -54.51 19.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.754 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.9 -39.82 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.84 -55.83 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -70.2 -28.57 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 1.001 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -63.61 -39.08 93.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.754 HG23 ' O ' ' B' ' 663' ' ' MET . 22.1 t -73.59 -51.26 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -57.73 -32.14 67.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.35 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -73.81 -32.31 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -69.27 -22.42 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 51.6 ttp -64.66 -42.67 95.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.81 0.57 43.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.774 -179.757 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 7.8 t -58.17 -23.66 56.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 1.2 m -75.79 -5.56 46.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -54.0 -27.27 30.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -55.53 -25.78 39.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 679' ' ' ALA . . . . . 0.798 ' HB1' HD21 ' B' ' 613' ' ' LEU . . . -51.6 -30.0 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.063 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.35 -49.36 71.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 86.9 m -74.06 -24.0 59.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 1.7 ttm -51.87 -30.23 23.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.28 -27.57 36.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.067 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 56.29 28.21 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.13 -49.04 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.13 82.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -29.17 69.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -76.38 72.17 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 10.0 t -120.85 -34.01 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.27 -23.19 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.75 -60.83 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.4 -24.6 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.41 -25.23 29.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -58.67 6.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 54.82 88.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 69.94 147.34 0.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.504 -179.851 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.822 0.344 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -141.68 110.62 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.2 26.09 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.14 145.6 25.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 58.45 56.39 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -112.75 -45.53 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -123.64 49.92 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -100.53 152.46 37.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 83.72 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -88.78 -35.67 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.988 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.63 69.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 m -114.15 -25.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . . . -152.43 49.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -31.58 71.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -54.94 -55.96 24.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 p -178.61 100.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -102.55 -34.6 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.029 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HB3' ' HB1' ' A' ' 79' ' ' ALA . 5.3 t80 -77.81 -46.88 20.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.43 -38.92 56.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.11 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -47.03 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 69' ' ' LEU . . . -56.03 -47.18 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.79 -26.91 26.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -30.01 30.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -58.92 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -23.86 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -72.86 -49.49 29.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.9 m -55.41 -51.79 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.601 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.2 mp -65.38 -47.42 87.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.91 -46.1 91.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -73.0 -53.11 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.94 -27.72 53.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.03 -45.15 67.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.66 -47.94 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.83 -36.02 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.51 -25.81 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.3 mtt -78.72 -59.46 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -55.74 -34.02 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.39 -38.21 60.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.68 -9.59 59.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.85 -57.12 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 49.26 51.31 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 65.21 45.6 2.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.837 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -142.09 -68.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.45 -51.44 4.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 -179.43 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 t 62.39 100.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.29 99.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.778 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.08 -50.01 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.18 -35.76 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -62.2 -34.32 76.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -70.79 -54.03 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -39.75 57.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -66.46 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.54 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -67.43 -35.57 79.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.601 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 83.0 t80 -69.45 -54.89 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.53 -35.01 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.94 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.16 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.21 -31.62 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.07 86.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.543 ' HD2' HD11 ' A' ' 68' ' ' LEU . 5.7 tmtp? -54.47 -52.59 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.991 HG21 HD22 ' B' ' 666' ' ' LEU . 14.0 t -63.14 -52.69 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -31.89 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 71' ' ' VAL . 53.3 m -84.71 -27.68 26.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.543 HD11 ' HD2' ' A' ' 64' ' ' LYS . 33.4 mt -73.73 -36.9 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 22' ' ' ALA . 3.0 mm? -55.36 -55.08 35.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.99 -43.32 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 67' ' ' THR . 60.6 t -65.84 -32.97 60.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.28 -50.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.609 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 37.2 mt-30 -71.93 -39.5 69.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.65 63.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.66 -39.63 94.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.3 mt -70.88 -25.93 63.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.37 -74.57 1.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -45.18 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.625 ' HB1' ' HB3' ' A' ' 18' ' ' PHE . . . -52.07 -31.99 32.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -104.68 -170.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.63 -106.96 2.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -161.5 173.69 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.316 . . . . 0.0 111.189 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.574 ' HE1' ' HB3' ' A' ' 85' ' ' ALA . 6.7 p90 -145.59 163.7 33.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.6 t -136.27 78.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.574 ' HB3' ' HE1' ' A' ' 83' ' ' TYR . . . -103.85 41.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.871 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.59 -29.48 62.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -179.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.91 179.25 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.151 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.3 -34.45 59.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.57 -27.87 28.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.73 -58.84 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.1 t -84.12 119.18 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.09 172.73 13.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -156.19 -172.81 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.18 165.7 25.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.29 -150.63 6.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.852 -179.866 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.28 71.41 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 16.4 p -115.97 -24.25 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -89.71 10.84 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -79.19 -69.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 1.4 ptp -161.71 49.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -122.73 108.92 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.47 -71.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -130.11 160.56 64.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.697 0.76 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -22.69 31.74 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.2 66.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -33.86 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 613' ' ' LEU . . . . . 0.505 HD21 HG23 ' B' ' 676' ' ' THR . 0.2 OUTLIER -72.18 178.03 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -54.54 176.08 0.45 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.18 145.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -177.32 174.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -110.06 -141.63 9.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.24 -75.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -26.85 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.11 -31.86 44.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.56 -49.75 59.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.5 -47.52 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.383 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 623' ' ' ALA . . . . . 0.659 ' HA ' HD23 ' B' ' 626' ' ' LEU . . . -52.48 -33.23 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.21 73.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 98.4 m -66.78 -29.08 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 626' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' B' ' 623' ' ' ALA . 3.9 mm? -59.91 -56.91 15.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.12 -41.56 81.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 36.0 m -59.47 -46.39 88.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.29 -43.7 55.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -45.14 55.9 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -54.39 -37.93 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.011 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -55.77 -35.84 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 633' ' ' ILE . . . . . 0.425 HD12 ' CZ2' ' B' ' 659' ' ' TRP . 87.7 mt -73.45 -36.19 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -64.33 -53.29 51.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.21 -40.4 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.19 -36.81 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -31.08 63.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.49 61.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.53 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 34.01 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 641' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' B' ' 652' ' ' TYR . 12.9 mm100 -65.25 -45.34 84.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.3 p -55.7 -25.99 42.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.21 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -52.34 149.93 5.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -98.91 -63.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.24 -19.47 54.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -86.66 -26.27 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.6 p -67.98 -30.59 69.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.02 -114.89 0.55 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 650' ' ' ILE . . . . . 0.5 ' HB ' HG11 ' A' ' 71' ' ' VAL . 54.9 mt -53.77 142.86 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.4 167.48 11.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 652' ' ' TYR . . . . . 0.423 ' HB2' ' NE2' ' B' ' 641' ' ' GLN . 52.7 p90 -61.45 -41.12 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.831 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.58 -42.82 58.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.79 96.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.5 t90 -62.69 -41.43 99.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.88 -55.84 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.14 -39.6 75.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 658' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' B' ' 650' ' ' ILE . 24.2 mt-30 -56.05 -52.84 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 659' ' ' TRP . . . . . 0.485 ' HZ3' HD22 ' A' ' 69' ' ' LEU . 31.6 t-105 -60.9 -47.82 84.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -57.72 -51.17 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.53 25.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 663' ' ' MET . . . . . 0.74 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -56.66 -42.24 78.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.15 -56.05 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -29.82 66.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.991 HD22 HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -63.57 -42.1 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.874 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 667' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 663' ' ' MET . 40.2 t -66.37 -51.21 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.89 -35.07 77.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.13 -25.18 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -85.52 -57.8 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -58.83 -23.68 60.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.18 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.2 ttp -52.46 -34.83 50.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 15.7 m -82.65 -26.51 32.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -49.92 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 676' ' ' THR . . . . . 0.505 HG23 HD21 ' B' ' 613' ' ' LEU . 0.0 OUTLIER -74.92 -6.51 49.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.193 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -51.55 -49.33 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -81.64 -17.14 49.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.5 -22.07 41.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -57.34 -70.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.88 -34.61 63.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.7 ttp -52.04 -29.95 23.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.86 -26.3 34.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 22.5 mtp -51.93 151.57 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 4.2 mtm -69.22 -29.37 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.98 20.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 687' ' ' ARG . . . . . 0.415 ' HB3' HG23 ' B' ' 689' ' ' THR . 5.3 mpt_? -67.47 -54.82 16.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 41.7 40.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 689' ' ' THR . . . . . 0.415 HG23 ' HB3' ' B' ' 687' ' ' ARG . 43.3 p -71.55 -49.71 38.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -66.25 -27.9 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.14 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -57.94 -24.6 58.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.91 -25.07 26.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 126.88 28.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -117.6 129.58 55.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 106.12 -158.99 15.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.667 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 11.3 t80 -52.01 -51.75 55.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.78 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.86 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -45.74 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -45.47 72.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.08 -26.68 73.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.445 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -25.43 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.943 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.52 ' HE2' HD12 ' B' ' 629' ' ' LEU . 42.5 tpp -65.75 -57.55 7.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -27.0 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.74 -38.51 91.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -65.06 -41.92 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.7 mp -73.13 -48.56 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -46.76 66.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.7 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.789 0.328 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.75 -54.06 49.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -47.98 63.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.54 87.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -68.86 -38.86 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.88 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.6 -39.29 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.13 -54.82 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.89 -33.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.21 -34.79 42.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.84 -34.61 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.53 -31.42 66.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 5.2 tmtp? -74.6 -40.53 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.867 HG21 HD22 ' B' ' 666' ' ' LEU . 18.9 t -71.46 -44.08 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -49.5 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -60.29 -33.34 72.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.427 ' HA ' HG22 ' A' ' 71' ' ' VAL . 39.7 mt -76.22 -26.6 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.725 HD21 HD13 ' B' ' 633' ' ' ILE . 13.7 mt -72.97 -30.16 63.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -77.03 -47.76 19.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.837 HG21 HD12 ' B' ' 650' ' ' ILE . 32.1 m -62.54 -34.46 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 68.0 mt-30 -71.72 -34.06 69.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.0 -35.56 72.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -81.15 -39.21 25.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.644 HD13 HD12 ' B' ' 640' ' ' LEU . 59.4 mt -75.88 -29.6 58.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.95 -75.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -51.96 -30.72 25.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.667 ' HB1' ' CD2' ' A' ' 18' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.85 67.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.712 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -67.01 -54.79 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.57 -24.42 39.2 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 96.9 m -60.13 -34.6 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.25 -45.23 85.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -52.76 59.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 4.9 t -63.12 -34.12 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.52 HD12 ' HE2' ' A' ' 25' ' ' MET . 0.1 OUTLIER -63.56 -47.35 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.43 91.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.29 -32.05 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.55 -40.43 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.725 HD13 HD21 ' A' ' 69' ' ' LEU . 68.3 mt -73.36 -32.6 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.074 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.78 -39.62 80.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 13.3 p -77.46 -31.05 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.44 -52.9 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -60.21 -29.66 68.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.23 -24.68 67.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.62 37.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.644 HD12 HD13 ' A' ' 76' ' ' LEU . 7.7 mt -109.0 29.48 7.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.53 -45.75 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 25.0 p -55.37 -26.45 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.95 -27.28 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -54.77 146.33 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -93.46 -69.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.29 -19.98 46.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.68 26.27 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.2 p -118.8 -29.43 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.29 -91.98 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.837 HD12 HG21 ' A' ' 71' ' ' VAL . 58.1 mt -81.4 143.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.39 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.46 172.98 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -64.38 -39.26 93.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -73.94 -42.6 60.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . 0.672 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -67.57 -41.79 83.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -59.39 -56.03 27.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.71 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.672 HE21 ' HB1' ' B' ' 654' ' ' ALA . 60.0 mt-30 -56.14 -50.01 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -51.97 -59.28 4.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -52.95 -47.45 68.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -62.23 -27.41 68.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.98 -54.44 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.735 ' O ' HG23 ' B' ' 667' ' ' VAL . 80.7 mmm -57.14 -39.54 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.07 -56.09 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -70.71 -28.37 64.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.867 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 663' ' ' MET . 42.1 t -73.47 -51.24 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -52.36 -33.22 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.14 -28.55 58.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.712 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 41.7 t80 -85.7 -36.38 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -72.28 -19.07 61.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -48.22 67.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.044 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.359 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.6 -48.82 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.78 67.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -40.12 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -59.28 -50.5 73.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.96 -25.73 75.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -32.96 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.3 tpp -55.58 -58.69 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -30.29 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -75.64 -29.12 59.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 m -74.09 -33.03 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.634 HD12 ' HE1' ' A' ' 58' ' ' PHE . 39.4 mm -61.0 -55.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.85 -39.07 96.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -58.53 -36.84 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 -45.84 58.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.5 t80 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.15 -54.06 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -45.72 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.73 -38.65 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -63.68 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.25 -31.01 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -63.6 -41.74 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.634 ' HE1' HD12 ' A' ' 29' ' ' ILE . 3.6 t80 -62.81 -54.7 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.45 -32.72 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -35.65 81.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.8 40.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.16 48.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.5 -30.77 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -71.41 -48.23 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.964 HG21 HD11 ' B' ' 666' ' ' LEU . 16.7 t -64.67 -33.64 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -46.33 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -65.75 -31.71 72.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' B' ' 658' ' ' GLN . 21.2 mt -74.11 -26.41 60.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 22' ' ' ALA . 19.1 mt -70.74 -30.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.6 -53.05 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.033 HG21 HD12 ' B' ' 650' ' ' ILE . 27.3 m -62.2 -32.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.21 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.659 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 46.6 mt-30 -71.7 -33.92 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.65 -34.76 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -81.09 -39.0 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.618 HD13 HD12 ' B' ' 640' ' ' LEU . 69.4 mt -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.87 -69.18 2.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.94 -37.12 51.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.879 0.371 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.03 -32.11 41.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -55.89 -56.32 22.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' B' ' 670' ' ' TYR . . . -53.69 -35.74 61.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.88 -25.81 31.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.3 m -64.67 -40.83 96.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.415 HD11 HD13 ' A' ' 29' ' ' ILE . 3.6 mm? -66.19 -38.14 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.59 -46.6 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.0 m -76.14 -41.91 48.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -52.83 60.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.67 -35.27 85.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.449 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.91 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.94 -39.06 84.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 5.9 mt -73.72 -35.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.48 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.34 -33.89 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -64.79 -37.38 87.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.478 HE21 ' N ' ' B' ' 638' ' ' ALA . 0.0 OUTLIER -66.6 -42.21 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . 0.478 ' N ' HE21 ' B' ' 637' ' ' GLN . . . -63.75 -29.41 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -76.07 -24.6 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 76' ' ' LEU . 10.0 mt -114.28 38.96 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -63.46 -52.85 59.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.0 p -55.6 -26.08 41.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -52.52 143.9 14.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -90.22 -68.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.51 -26.17 24.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -96.56 26.16 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 47.0 p -119.58 -30.93 4.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.19 -110.02 0.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 1.033 HD12 HG21 ' A' ' 71' ' ' VAL . 57.5 mt -63.7 143.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 111.191 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.17 171.24 8.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.22 -38.81 92.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -73.63 -42.65 61.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.41 -48.27 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -54.3 -49.11 70.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -51.64 -44.67 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.96 65.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.524 ' HB3' HD21 ' A' ' 68' ' ' LEU . 42.5 mt-30 -56.77 -51.73 67.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.437 ' HA ' HD13 ' A' ' 68' ' ' LEU . 51.0 t-105 -58.47 -54.96 41.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -51.62 -52.5 47.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.8 -47.39 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.828 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -51.28 -52.49 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -57.97 -33.27 68.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -70.81 -34.87 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.964 HD11 HG21 ' A' ' 65' ' ' VAL . 5.7 mt -71.19 -55.5 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.43 HG23 ' N ' ' B' ' 668' ' ' ARG . 15.4 m -52.92 -44.57 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . 0.43 ' N ' HG23 ' B' ' 667' ' ' VAL . 6.6 ptt180 -71.08 -32.3 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.98 68.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' B' ' 623' ' ' ALA . 39.2 t80 -85.56 -44.73 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -68.01 -25.64 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.62 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 9.9 tmm? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.806 0.336 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -61.04 -50.62 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.11 -38.41 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.78 -39.36 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.77 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -56.5 -50.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.22 -27.53 73.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -33.3 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ttm -60.99 -58.6 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -52.02 -36.61 50.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.23 -45.36 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -64.17 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.465 HG23 ' CE1' ' A' ' 58' ' ' PHE . 50.9 mm -67.15 -48.84 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.82 -32.09 81.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -39.78 66.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.29 -40.18 45.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.922 0.392 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -56.68 -54.17 49.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.35 -40.91 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.59 -29.65 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -74.84 -33.39 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -63.23 -43.6 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.465 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.4 t80 -61.34 -54.55 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.13 -32.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.51 75.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -36.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -53.08 -31.53 42.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.42 70.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.1 tmtp? -74.53 -52.62 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.7 p -66.67 -31.51 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -70.75 -53.64 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.3 m -56.0 -40.33 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.441 HD11 ' HD2' ' A' ' 64' ' ' LYS . 34.2 mt -64.03 -35.55 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 22' ' ' ALA . 2.9 mt -61.84 -46.26 90.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -65.91 -38.87 89.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 67' ' ' THR . 59.0 t -66.27 -33.02 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.485 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 36.8 mt-30 -71.51 -34.31 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.2 -33.37 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.17 -38.35 56.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.17 -32.87 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.06 -55.5 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.03 -50.71 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.782 0.325 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.06 90.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -37.46 83.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.43 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.99 -36.22 66.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.5 m -55.8 -44.85 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.88 -40.02 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -52.61 -51.17 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 31.3 t -76.06 -30.45 58.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -52.65 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.06 -37.64 94.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.702 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.38 -36.44 61.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.09 -34.83 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.23 -38.61 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 631' ' ' ALA . 87.2 t -75.21 -31.58 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.87 -52.07 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -60.67 -29.73 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.26 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.77 -25.41 44.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.35 27.11 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -53.13 -43.21 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.1 p -62.09 -26.52 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.31 -32.56 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.66 135.52 34.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.48 -69.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.99 -20.1 46.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -96.01 26.06 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 12.1 p -119.63 -30.94 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.43 -98.38 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.33 143.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.47 176.28 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -67.14 -38.49 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -73.52 -40.23 64.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.01 65.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -59.69 -42.23 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -58.65 -55.95 28.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.2 -52.52 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.403 ' HA ' HD13 ' A' ' 68' ' ' LEU . 65.7 t-105 -52.01 -52.87 47.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -51.87 -51.84 53.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -54.2 -46.15 72.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -57.02 -54.17 49.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.81 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -52.69 -54.49 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -33.11 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -71.0 -47.67 57.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' B' ' 663' ' ' MET . 4.4 mt -58.46 -42.56 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 663' ' ' MET . 21.5 t -62.12 -44.42 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -70.31 -34.53 72.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.83 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -72.59 -57.63 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.98 -18.25 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.12 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.804 0.335 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.43 ' HB3' ' HB1' ' A' ' 79' ' ' ALA . 9.8 t80 -64.62 -51.71 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -38.47 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 -44.02 51.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.487 ' CB ' HD22 ' A' ' 69' ' ' LEU . . . -58.64 -45.03 90.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.37 70.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.476 HD23 HD22 ' B' ' 629' ' ' LEU . 0.9 OUTLIER -78.08 -25.89 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.844 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.413 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -59.86 -58.69 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.96 -26.1 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -70.12 -31.48 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.415 ' CG2' HD23 ' B' ' 626' ' ' LEU . 4.0 m -68.41 -42.79 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.497 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.09 -49.52 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.76 65.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -72.93 -34.03 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.37 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.9 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.742 0.306 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.45 -54.01 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.41 -49.71 61.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.07 87.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.02 65.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -64.15 -40.52 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -64.04 -54.71 29.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.5 -33.01 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.27 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.57 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.8 -35.66 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.49 -35.65 68.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -74.5 -47.99 29.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.77 HG21 HD22 ' B' ' 666' ' ' LEU . 23.3 t -56.79 -37.21 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -43.83 64.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.2 m -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' B' ' 659' ' ' TRP . 6.3 mt -76.27 -26.43 55.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD22 ' CB ' ' A' ' 22' ' ' ALA . 6.7 mt -72.18 -29.88 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.2 -49.02 14.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.84 HG21 HD12 ' B' ' 650' ' ' ILE . 34.6 m -61.53 -32.94 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.1 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.7 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 38.8 mt-30 -71.35 -33.9 70.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.24 71.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' N ' HD22 ' A' ' 75' ' ' ASN . 1.5 m-80 -81.14 -37.82 28.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.661 HD13 HD12 ' B' ' 640' ' ' LEU . 51.4 mt -76.6 -29.4 56.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.48 1.23 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -35.2 45.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.7 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.811 0.338 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.44 -33.73 47.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -41.05 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.575 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.8 -33.15 34.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.05 -24.54 35.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 62.6 m -56.18 -39.18 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.789 HD13 HD11 ' B' ' 666' ' ' LEU . 26.4 mt -60.8 -36.53 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . 0.422 ' CG ' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -67.05 -52.53 41.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -53.02 55.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.486 ' O ' HD12 ' B' ' 629' ' ' LEU . 10.2 tp -60.63 -37.85 82.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.17 57.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.3 -34.13 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.75 -42.28 75.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.44 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 72.4 mt -73.32 -32.52 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.45 -53.09 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.2 -31.21 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -44.76 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.412 HE21 ' N ' ' B' ' 638' ' ' ALA . 0.0 OUTLIER -60.78 -39.43 88.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . 0.412 ' N ' HE21 ' B' ' 637' ' ' GLN . . . -68.08 -24.56 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.065 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.63 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.661 HD12 HD13 ' A' ' 76' ' ' LEU . 9.1 mt -117.78 34.92 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -54.16 -52.75 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -26.01 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' B' ' 640' ' ' LEU . . . -71.02 -29.18 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -62.73 140.11 58.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -91.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 109.91 -19.7 27.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.89 26.09 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 17.6 p -119.8 -31.03 4.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 166.4 -115.12 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 71' ' ' VAL . 58.0 mt -54.12 143.15 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 171.45 8.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.09 -39.44 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -73.91 -41.41 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . 0.526 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.03 -44.3 76.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -59.99 -38.36 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.43 -55.97 27.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.15 -42.69 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.526 HE21 ' HB1' ' B' ' 654' ' ' ALA . 24.9 mt-30 -56.07 -49.41 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.615 ' HA ' HD13 ' A' ' 68' ' ' LEU . 73.9 t-105 -59.49 -59.4 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -51.75 -49.71 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.22 -34.51 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.69 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.748 ' O ' HG23 ' B' ' 667' ' ' VAL . 83.9 mmm -56.88 -43.45 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.15 -55.96 17.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.81 -28.34 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.789 HD11 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -66.41 -37.48 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 663' ' ' MET . 40.5 t -71.72 -51.15 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -52.75 -34.16 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.29 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.575 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 20.0 t80 -85.69 -51.97 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -55.53 -25.99 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.03 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 6.0 tmm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.782 0.325 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -69.37 -51.78 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.66 69.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.37 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.7 -36.68 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.08 -48.35 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.16 -38.29 63.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -26.07 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.456 ' CE ' HD12 ' B' ' 629' ' ' LEU . 10.0 ttm -66.96 -58.79 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -28.86 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.62 -33.56 76.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -68.89 -40.18 79.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.16 -50.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.58 -45.92 66.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.43 71.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.2 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.71 -54.01 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -51.75 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.64 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -63.96 -36.3 83.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.78 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -66.78 -34.94 78.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.58 -54.8 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.66 -34.14 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.67 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.84 40.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.446 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -52.79 -31.44 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.06 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -74.47 -52.67 11.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.6 p -63.65 -31.56 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.98 -53.46 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.1 m -55.82 -46.4 78.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.508 HD11 ' HD2' ' A' ' 64' ' ' LYS . 41.3 mt -58.47 -35.4 72.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.82 -45.84 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.98 -36.54 83.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 67' ' ' THR . 30.9 t -70.11 -33.08 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.06 76.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.528 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 38.0 mt-30 -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -34.51 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.48 -40.73 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.423 HD13 HD12 ' B' ' 640' ' ' LEU . 89.2 mt -73.81 -32.16 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.62 -65.38 3.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.05 -38.06 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.855 0.36 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.46 -34.07 54.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.651 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.82 -33.92 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.84 -24.37 41.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 13.1 m -67.39 -52.51 39.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 19.5 mt -56.8 -36.55 70.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -51.99 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -30.49 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.456 HD12 ' CE ' ' A' ' 25' ' ' MET . 0.1 OUTLIER -58.39 -50.95 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.11 94.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.624 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -57.2 -38.22 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.84 -40.28 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 78.9 mt -73.16 -47.14 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.19 -32.87 62.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 631' ' ' ALA . 75.6 t -77.34 -31.21 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -52.81 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -56.46 -29.69 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.15 -27.02 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.423 HD12 HD13 ' A' ' 76' ' ' LEU . 8.6 mt -100.0 25.94 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -51.91 -46.0 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 96.5 p -55.42 -26.57 42.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.26 -36.19 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -52.86 147.79 8.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -96.9 -70.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.66 -26.31 21.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -98.41 28.15 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 3.2 p -117.19 -25.26 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.94 -78.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.01 143.25 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.119 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.27 174.4 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.61 -38.27 88.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.48 -41.17 63.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.2 55.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -54.4 -53.86 48.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -53.26 -28.6 28.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -55.17 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.16 -50.85 70.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.99 -51.46 57.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -52.01 -50.18 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -59.34 -41.39 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.88 -54.11 43.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.831 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.3 OUTLIER -54.12 -55.43 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -52.74 -34.63 53.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.41 -41.41 73.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' B' ' 663' ' ' MET . 6.5 mt -63.2 -45.93 89.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 663' ' ' MET . 27.0 t -55.05 -51.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -70.33 -32.28 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.23 65.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.651 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 36.3 t80 -68.35 -44.75 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -60.83 -22.75 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.26 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.3 tmm? . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.79 -51.62 65.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.66 84.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.99 65.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -40.29 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.27 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.05 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.34 -35.48 92.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.38 -37.66 88.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.521 ' HE1' ' HB3' ' B' ' 629' ' ' LEU . 45.3 tpp -57.36 -58.86 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -56.4 -25.94 51.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -74.78 -29.2 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -69.31 -45.78 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.0 mp -73.23 -47.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.72 63.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -72.9 -34.13 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.91 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.5 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.815 0.341 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.0 -54.04 51.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.48 -47.58 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.2 93.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -63.69 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.88 65.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -64.57 -39.35 93.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.09 -54.83 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.9 -32.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HB1' HD12 ' B' ' 666' ' ' LEU . . . -79.35 -40.74 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.48 -31.44 23.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.41 -30.34 62.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.37 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.537 HG13 ' CH2' ' B' ' 659' ' ' TRP . 27.1 t -63.81 -35.3 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -66.88 -44.16 81.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -69.89 -35.77 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.439 ' HA ' HG22 ' A' ' 71' ' ' VAL . 82.5 mt -72.0 -26.61 62.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD21 HD13 ' B' ' 633' ' ' ILE . 5.1 mt -70.22 -30.09 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.72 -55.06 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.905 HG21 HD12 ' B' ' 650' ' ' ILE . 27.0 m -57.03 -32.92 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.1 77.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.662 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 42.2 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.6 22.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -58.77 -33.97 70.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.17 -29.27 31.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.53 -65.51 2.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.07 -48.77 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.033 0 CA-C-O 120.875 0.369 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.08 -47.81 59.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -55.2 -56.6 18.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.427 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.81 -40.93 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.53 -24.89 48.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.414 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.0 m -66.83 -39.08 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.78 -44.39 90.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . 0.634 ' CD ' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -52.62 -42.12 64.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.0 m -75.99 -31.12 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.521 ' HB3' ' HE1' ' A' ' 25' ' ' MET . 0.1 OUTLIER -66.67 -52.72 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.9 -33.84 56.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.24 76.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.084 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.9 -43.71 77.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.613 HD13 HD21 ' A' ' 69' ' ' LEU . 50.5 mt -72.95 -34.0 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.28 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 99.5 t -56.27 -51.38 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -53.39 -37.28 62.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.576 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.81 -32.1 63.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.86 58.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.18 -25.29 36.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.79 28.34 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . 0.576 ' NE2' HE21 ' B' ' 637' ' ' GLN . 7.2 mm-40 -54.65 -38.95 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.4 p -62.63 -26.51 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.66 -31.18 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -52.05 149.26 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -94.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.97 32.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -144.8 26.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 29.8 p -118.63 -29.77 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 174.63 -79.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.905 HD12 HG21 ' A' ' 71' ' ' VAL . 59.4 mt -93.0 144.14 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 111.085 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.49 171.42 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.03 -38.64 91.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.02 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -54.43 -53.66 51.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -52.25 -29.72 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -53.51 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.27 -50.35 71.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.537 ' CH2' HG13 ' A' ' 65' ' ' VAL . 67.7 t-105 -52.05 -50.99 60.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -59.32 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.82 -45.88 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.3 48.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.694 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.73 -50.39 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -54.89 -38.59 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -66.1 -45.8 79.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.508 HD12 ' HB1' ' A' ' 61' ' ' ALA . 10.2 mp -59.64 -43.56 93.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 663' ' ' MET . 20.3 t -60.76 -51.26 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -65.56 -31.67 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.53 65.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.427 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 32.5 t80 -83.13 -46.75 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -62.0 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.75 -50.2 38.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 14.5 tmm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.853 0.359 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' HG23 ' B' ' 633' ' ' ILE . 32.9 t80 -77.86 -48.79 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -30.83 31.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -52.01 45.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' CB ' HD12 ' A' ' 69' ' ' LEU . . . -62.42 -50.75 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.13 -25.68 74.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -79.92 -33.63 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.408 ' HE3' HD12 ' B' ' 633' ' ' ILE . 0.3 OUTLIER -55.47 -59.07 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -57.51 -23.72 51.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.13 -39.62 29.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -51.86 -43.56 63.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.434 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -72.92 -45.85 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.83 -45.08 70.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.484 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -39.97 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.78 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.7 t80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.788 0.328 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 55' ' ' HIS . 2.1 tt0 -62.96 -47.73 81.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.87 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.91 -28.61 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 52' ' ' GLN . 5.5 t-160 -62.88 -53.56 52.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 59' ' ' VAL . . . -61.12 -31.04 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -68.42 -36.46 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.99 -53.96 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 56' ' ' ALA . 5.0 p -53.3 -36.89 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.36 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' B' ' 666' ' ' LEU . . . -79.32 -44.65 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.47 -31.6 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.14 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' B' ' 662' ' ' ALA . 9.3 tptt -59.92 -52.45 65.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.736 HG21 HD11 ' B' ' 666' ' ' LEU . 18.9 t -54.6 -52.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -30.57 29.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 71' ' ' VAL . 44.4 m -79.65 -27.4 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 65' ' ' VAL . 69.7 mt -74.83 -40.63 60.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD2' HG12 ' A' ' 65' ' ' VAL . 2.8 mm? -55.09 -50.97 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -59.23 -32.24 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 67' ' ' THR . 98.3 t -76.08 -37.52 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.29 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.697 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 57.2 mt-30 -71.4 -33.9 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.37 77.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.52 -38.13 62.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.518 HD13 HD12 ' B' ' 640' ' ' LEU . 48.0 mt -74.67 -25.89 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 -72.45 1.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -45.98 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.697 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.811 0.338 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.22 -31.81 59.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -43.98 94.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -52.06 -47.82 64.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.52 24.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 26.6 m -60.68 -36.75 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 0.0 111.137 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 626' ' ' LEU . 3.9 mm? -65.45 -46.14 81.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . 0.434 ' HG3' HG21 ' B' ' 667' ' ' VAL . 6.8 tt0 -52.64 -40.83 63.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -32.82 59.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.408 HD12 ' CE ' ' A' ' 25' ' ' MET . 0.1 OUTLIER -68.62 -44.16 74.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.5 88.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.33 -31.87 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.89 -41.64 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.427 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 8.3 mt -72.95 -32.61 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.15 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.27 -31.77 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.88 -52.93 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.21 -29.81 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.88 -25.78 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.15 -26.03 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.518 HD12 HD13 ' A' ' 76' ' ' LEU . 10.3 mt -101.09 25.43 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -52.1 -51.06 60.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -26.42 59.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.33 -31.65 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -52.02 149.14 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.43 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 81.63 16.93 71.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.7 -27.2 6.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.6 p -77.64 -30.42 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -173.06 -120.66 0.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.607 ' HB ' HG11 ' A' ' 71' ' ' VAL . 59.0 mt -54.89 143.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 174.62 6.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -62.84 -40.87 98.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -74.71 -42.66 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . 0.489 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -66.53 -35.32 79.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -70.02 -54.27 13.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.59 -28.05 30.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.09 -26.51 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.489 HE21 ' HB1' ' B' ' 654' ' ' ALA . 29.2 mt-30 -76.28 -53.0 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -56.7 -41.73 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -49.99 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.96 -46.09 86.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . 0.441 ' HB2' ' CG ' ' A' ' 64' ' ' LYS . . . -57.3 -54.74 43.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.806 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.1 OUTLIER -56.39 -57.47 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.25 -33.74 42.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -66.72 -50.48 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.0 mt -57.14 -48.75 77.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 663' ' ' MET . 32.5 t -52.15 -49.3 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -70.42 -30.52 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.08 -38.78 71.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.6 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 17.4 t80 -70.17 -52.75 21.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.97 -23.3 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.93 62.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 57.8 ttp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.795 0.331 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.1 -45.47 94.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -34.38 39.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.05 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -49.88 14.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 69' ' ' LEU . . . -57.77 -37.91 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.04 -25.72 74.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.6 -30.23 52.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.87 -58.72 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -56.05 -25.6 45.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -74.69 -32.26 62.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -67.94 -46.41 71.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.619 HG13 HD21 ' B' ' 626' ' ' LEU . 4.4 mp -72.19 -47.47 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.02 -46.81 68.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -73.04 -43.11 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.72 68.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.3 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.53 -54.07 50.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.72 -47.22 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' B' ' 673' ' ' MET . . . -64.34 -38.43 91.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -67.49 -40.33 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.77 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -67.5 -32.63 73.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' HA ' ' HB1' ' B' ' 669' ' ' ALA . 3.4 t80 -71.91 -55.15 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.65 -32.42 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.84 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -41.52 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.54 -37.9 51.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.21 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -57.26 -52.86 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.724 HG21 HD22 ' B' ' 666' ' ' LEU . 21.6 t -58.19 -53.29 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -36.19 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.691 ' O ' HG23 ' A' ' 71' ' ' VAL . 41.1 m -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 65' ' ' VAL . 37.6 mt -71.88 -48.07 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.676 HD11 HD13 ' B' ' 633' ' ' ILE . 1.2 mm? -55.4 -33.68 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -32.67 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 67' ' ' THR . 85.6 t -76.89 -34.1 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.19 77.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.633 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 73.7 mt-30 -68.02 -40.85 82.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.47 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.7 -38.69 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.2 -28.03 62.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 -71.72 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -43.32 65.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -42.88 60.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -57.15 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -52.77 -32.94 46.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.57 24.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.7 m -64.67 -38.84 92.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.954 HD23 HD11 ' B' ' 666' ' ' LEU . 10.4 mp -61.32 -39.59 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.62 -50.11 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.4 t -64.26 -53.21 52.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.551 ' O ' HD12 ' B' ' 629' ' ' LEU . 9.0 tp -61.76 -34.88 76.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.83 93.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.44 78.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -55.9 -42.3 75.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.676 HD13 HD11 ' A' ' 69' ' ' LEU . 78.3 mt -73.26 -35.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.61 -42.39 82.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.7 p -77.42 -31.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.82 -50.48 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -69.99 -29.71 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.25 62.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.28 -24.65 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.92 25.66 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -55.22 -49.11 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.7 m -55.43 -26.32 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.48 -30.87 42.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -52.08 150.24 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -96.4 -65.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.1 -28.99 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.78 25.94 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.813 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 4.1 p -126.96 24.64 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.52 -106.32 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 54.6 mt -78.33 144.18 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 0.0 111.106 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.36 170.83 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -60.89 -42.07 97.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.16 -42.05 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.57 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -70.2 -53.75 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -53.81 -28.79 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.75 -23.89 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -76.35 -51.55 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.53 ' CE3' HD13 ' A' ' 68' ' ' LEU . 52.7 t-105 -51.9 -49.4 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -58.08 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -56.73 -48.57 77.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.7 34.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.726 ' O ' HG23 ' B' ' 667' ' ' VAL . 28.6 tpp -55.59 -43.03 75.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -53.54 -56.49 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.43 -28.25 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.954 HD11 HD23 ' B' ' 626' ' ' LEU . 0.3 OUTLIER -68.77 -37.1 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 663' ' ' MET . 99.4 t -66.94 -51.47 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -59.15 -30.41 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -55.96 -26.97 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.647 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 52.6 t80 -85.77 -52.23 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.14 -25.28 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.34 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . 0.505 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CD1' ' HB1' ' A' ' 79' ' ' ALA . 12.4 t80 -57.18 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.76 -39.58 74.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.62 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -42.1 49.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.25 68.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.74 -25.69 74.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -74.63 -26.72 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.408 ' HA ' HD13 ' B' ' 629' ' ' LEU . 26.1 tpp -60.57 -58.64 7.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -57.06 -25.65 59.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -69.1 -39.13 79.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -45.64 91.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.677 HG13 HD21 ' B' ' 626' ' ' LEU . 4.5 mp -73.09 -46.51 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.08 84.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -73.08 -41.64 63.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.62 -28.87 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.0 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.73 -54.01 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -50.98 59.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.58 89.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -64.12 -36.45 84.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.75 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 87.7 t80 -69.09 -54.75 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.99 -33.57 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.83 98.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.28 -41.56 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 -33.18 35.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.09 99.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -62.94 -52.57 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.47 HG11 HD22 ' B' ' 666' ' ' LEU . 7.2 p -66.53 -31.61 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -71.17 -50.77 29.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 m -59.62 -49.47 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' B' ' 658' ' ' GLN . 66.2 mt -54.5 -28.43 44.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.59 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.984 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.4 -51.6 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.82 HG21 HD12 ' B' ' 650' ' ' ILE . 22.8 m -59.82 -32.92 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.09 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 66.4 mt-30 -70.11 -33.94 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.85 -36.4 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -81.24 -39.12 25.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.652 HD13 HD12 ' B' ' 640' ' ' LEU . 54.7 mt -75.64 -29.23 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.77 -75.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 -32.25 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.67 -49.19 76.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -55.64 20.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.48 55.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.85 -24.64 34.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 32.7 m -59.91 -42.69 94.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 111.13 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.677 HD21 HG13 ' A' ' 29' ' ' ILE . 6.6 mp -68.13 -47.12 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -37.74 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -53.06 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 25' ' ' MET . 0.9 OUTLIER -54.4 -38.88 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.95 -52.44 35.02 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.51 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.306 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -55.88 -42.01 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.464 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 70.7 mt -73.48 -32.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.44 -53.15 38.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.27 -31.67 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.58 -41.91 98.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -37.51 86.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.79 -22.19 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.652 HD12 HD13 ' A' ' 76' ' ' LEU . 9.5 mt -117.16 36.02 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -56.38 -49.48 74.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -26.11 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.2 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -58.4 144.07 43.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -92.54 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 106.36 -21.58 32.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 26.33 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 56.5 p -119.68 -31.13 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.93 -117.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.82 HD12 HG21 ' A' ' 71' ' ' VAL . 55.8 mt -54.45 143.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.12 170.67 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -63.82 -38.91 92.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.67 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.19 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.46 -41.61 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -52.75 -56.04 18.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.35 78.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 68' ' ' LEU . 32.1 mt-30 -56.24 -50.89 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.464 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 65.3 t-105 -61.06 -56.13 24.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -50.88 -48.97 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -63.37 -35.23 79.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -67.79 -54.91 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.703 ' O ' HG23 ' B' ' 667' ' ' VAL . 38.5 tpp -58.16 -39.66 79.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -55.39 -56.14 23.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.47 -28.15 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.598 ' O ' HD12 ' B' ' 666' ' ' LEU . 0.3 OUTLIER -65.33 -37.49 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.703 HG23 ' O ' ' B' ' 663' ' ' MET . 99.1 t -67.11 -51.21 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -65.99 -38.9 89.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.25 -25.07 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -85.47 -57.56 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -23.5 62.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -37.22 59.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.9 ttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -72.28 -51.78 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.19 -31.11 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.82 85.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -38.48 59.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.74 89.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.13 72.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -27.4 65.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.42 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.78 -58.69 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.46 -26.21 41.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -72.9 -29.84 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.542 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.2 OUTLIER -71.78 -45.37 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.1 mp -73.22 -47.81 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -46.83 65.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -72.96 -34.05 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.51 -27.63 65.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.319 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' HA ' ' HB3' ' A' ' 55' ' ' HIS . 2.1 tt0 -62.95 -47.85 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.4 -56.93 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.99 -28.5 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 52' ' ' GLN . 5.3 t-160 -62.85 -53.12 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.14 -30.85 68.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -68.11 -38.73 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.8 -54.28 16.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.53 -36.98 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.47 33.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.75 68.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.77 -38.12 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.24 -47.65 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.687 HG21 HD22 ' B' ' 666' ' ' LEU . 20.9 t -60.47 -46.11 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -50.35 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.673 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.3 m -54.5 -46.14 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.19 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.538 HD13 ' HA ' ' B' ' 659' ' ' TRP . 47.1 mt -60.05 -44.99 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.24 -52.79 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -49.52 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 67' ' ' THR . 91.7 t -56.56 -33.06 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.44 80.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.548 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 77.2 mt-30 -69.68 -35.78 75.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -79.96 -40.81 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.408 HD13 HD12 ' B' ' 640' ' ' LEU . 95.5 mt -73.75 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.31 -69.27 2.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.529 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.53 -32.39 50.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.857 0.361 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.46 -32.61 45.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -41.35 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -53.07 -45.05 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.9 -24.97 35.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 56.8 m -57.4 -35.09 69.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.496 HD23 ' CG2' ' A' ' 28' ' ' THR . 54.0 mt -68.16 -44.36 76.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . 0.479 ' HG3' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -60.16 -36.91 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.3 m -75.93 -53.1 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.542 HD13 ' OG1' ' A' ' 28' ' ' THR . 4.1 tt -57.85 -52.64 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.61 -36.51 48.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.672 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.46 -32.08 48.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.96 -34.08 77.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.28 -38.73 54.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.42 72.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.672 HG23 ' O ' ' B' ' 631' ' ' ALA . 85.1 t -76.02 -31.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -51.4 45.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -64.98 -30.16 71.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.83 -25.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.24 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.408 HD12 HD13 ' A' ' 76' ' ' LEU . 11.2 mt -101.91 28.67 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.25 -50.15 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 94.7 p -57.61 -27.15 62.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.58 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -52.13 149.67 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -95.52 -72.28 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.8 -18.73 49.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -95.86 26.15 4.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -118.38 -28.28 5.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 167.24 -80.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.83 143.16 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.381 . . . . 0.0 111.18 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 174.29 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.99 -38.51 88.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -73.63 -41.19 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . 0.551 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -70.11 -42.67 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -62.14 -42.73 99.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.7 -55.82 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.69 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.551 HE21 ' HB1' ' B' ' 654' ' ' ALA . 33.7 mt-30 -58.96 -52.72 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.538 ' HA ' HD13 ' A' ' 68' ' ' LEU . 72.2 t-105 -53.42 -58.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -55.95 -54.68 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -52.79 -34.18 52.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.41 -54.25 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.747 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.48 -38.63 54.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -55.38 -55.97 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.806 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -28.37 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.687 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.67 -37.36 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 663' ' ' MET . 46.4 t -72.66 -47.93 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -51.77 -31.54 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.45 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -84.9 -51.1 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.0 -48.44 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.89 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.901 0.381 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -55.06 -51.15 67.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.99 62.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.39 96.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -38.37 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.94 -32.07 69.83 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.465 HD23 HD11 ' B' ' 629' ' ' LEU . 0.4 OUTLIER -79.83 -28.75 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.883 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -58.8 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -58.23 -26.12 62.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.65 -26.92 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.597 ' CG2' HD23 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -71.17 -46.51 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.1 mp -73.17 -47.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -47.51 64.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -72.98 -34.08 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.01 66.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.89 -54.06 21.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -45.93 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' B' ' 673' ' ' MET . . . -64.27 -38.33 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -68.28 -38.68 81.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.3 -30.95 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.05 -42.38 99.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.25 -54.7 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.94 -32.72 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.8 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.57 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.97 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.28 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -70.2 -49.84 46.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.737 HG21 HD13 ' B' ' 666' ' ' LEU . 22.5 t -57.34 -44.59 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -49.33 73.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.8 m -57.06 -36.28 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 659' ' ' TRP . 58.3 mt -76.18 -33.37 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -47.92 68.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 67' ' ' THR . 92.8 t -54.81 -33.13 27.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.96 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.584 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 58.2 mt-30 -68.69 -35.64 77.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.37 74.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -79.86 -38.89 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.8 -31.98 63.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.35 -70.4 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -31.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.584 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.05 -36.67 52.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.65 -48.13 82.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.78 -41.93 62.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.49 -36.19 46.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.9 m -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.597 HD23 ' CG2' ' A' ' 28' ' ' THR . 8.4 mt -67.33 -57.7 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.74 -35.55 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 41.9 t -75.68 -37.15 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.5 ' O ' HD23 ' B' ' 629' ' ' LEU . 5.8 tt -69.05 -43.26 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.3 -45.41 58.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.66 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -55.96 -44.09 78.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.464 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 69.6 mt -73.25 -32.53 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . 0.408 ' HB2' ' CD1' ' B' ' 659' ' ' TRP . . . -69.26 -40.42 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.41 -31.19 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.89 -52.83 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -65.03 -29.71 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.29 -24.7 65.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.62 -24.87 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.3 mt -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -56.05 -47.85 77.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -26.73 39.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.36 -30.94 62.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -53.26 149.53 7.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -93.2 -70.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.23 6.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.404 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.19 26.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 72.8 p -119.83 -30.86 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.28 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.434 ' HB ' HG11 ' A' ' 71' ' ' VAL . 58.0 mt -102.47 142.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . 0.432 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -99.95 175.01 5.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . 0.432 ' H ' HG22 ' B' ' 651' ' ' THR . 56.0 p90 -66.27 -38.4 87.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -73.37 -41.17 63.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.73 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -59.04 -48.47 81.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -54.25 -27.42 34.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.44 -27.33 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -75.79 -52.38 10.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.464 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 70.4 t-105 -51.96 -58.98 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.34 -57.84 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -52.94 -30.34 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' B' ' 659' ' ' TRP . . . -69.16 -54.77 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.51 ' O ' HG12 ' B' ' 667' ' ' VAL . 70.4 mmm -60.65 -30.09 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.8 -56.21 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.9 -28.29 58.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.737 HD13 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -68.42 -48.39 64.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.51 HG12 ' O ' ' B' ' 663' ' ' MET . 8.9 p -72.0 -30.4 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -65.87 -30.64 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.18 -27.04 52.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.595 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 58.0 t80 -85.66 -57.02 3.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -57.09 -27.0 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.34 -47.79 39.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . 0.535 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 27.8 ttp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -74.01 -45.67 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.19 -30.27 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.93 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -75.82 -23.64 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.05 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.06 -33.22 69.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.78 -24.25 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -56.08 -25.67 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -77.89 -25.87 48.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -71.92 -44.94 62.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.7 mp -73.19 -46.45 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.68 68.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -72.91 -34.43 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.24 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.55 -53.27 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.76 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HB1' ' HG3' ' B' ' 673' ' ' MET . . . -61.95 -38.54 88.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -65.2 -36.26 83.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.11 65.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -64.19 -39.71 94.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.77 -54.76 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.31 -33.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.89 81.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB3' HD23 ' B' ' 666' ' ' LEU . . . -79.38 -37.54 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.1 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.13 64.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -39.93 64.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.719 ' CG2' HD11 ' B' ' 666' ' ' LEU . 11.4 t -66.85 -45.81 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -42.59 98.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -71.02 -34.52 71.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' B' ' 658' ' ' GLN . 28.4 mt -76.25 -26.47 56.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.645 HD21 HD13 ' B' ' 633' ' ' ILE . 6.5 mt -72.72 -30.03 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -54.21 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.069 HG21 HD12 ' B' ' 650' ' ' ILE . 33.3 m -55.47 -34.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.17 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -71.74 -54.04 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.6 -52.71 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -59.17 -21.41 59.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' B' ' 643' ' ' ALA . 36.2 mt -91.06 -14.92 30.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.47 -86.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.55 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -33.13 21.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.83 -32.85 41.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.28 -35.76 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.365 . . . . 0.0 110.92 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.668 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.27 -25.07 31.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.8 m -56.19 -45.25 79.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.528 HD22 ' H ' ' B' ' 626' ' ' LEU . 2.0 mm? -69.0 -39.5 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -53.52 -41.87 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.3 t -75.86 -34.99 60.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -52.79 53.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.2 -51.18 52.45 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.646 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.31 -42.57 66.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.72 -43.98 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.645 HD13 HD21 ' A' ' 69' ' ' LEU . 69.5 mt -73.41 -38.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . 0.654 ' HB2' ' CD1' ' B' ' 659' ' ' TRP . . . -65.71 -33.51 76.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 631' ' ' ALA . 84.9 t -77.55 -31.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.81 -52.82 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -59.67 -29.6 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.4 -29.22 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.32 -23.43 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.66 25.48 5.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.91 -30.68 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.5 t -74.03 -26.34 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . 0.639 ' HB3' HD22 ' A' ' 76' ' ' LEU . . . -75.4 -25.41 57.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -63.58 121.25 13.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 -26.27 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.42 27.0 24.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.17 20.77 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 18.7 p -120.3 -31.05 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 178.12 -99.62 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 1.069 HD12 HG21 ' A' ' 71' ' ' VAL . 56.1 mt -65.8 143.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.413 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.86 164.94 12.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -60.45 -40.54 91.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -74.11 -41.54 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.3 68.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -54.52 -52.51 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.52 -30.03 18.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.99 -51.09 7.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' LEU . 10.1 mt-30 -56.54 -47.33 79.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' B' ' 634' ' ' ALA . 65.5 t-105 -51.9 -59.14 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -38.69 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -68.82 -35.74 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -69.94 -54.88 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.832 ' HA ' HD12 ' B' ' 666' ' ' LEU . 34.3 mmm -59.94 -48.77 80.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -55.3 -32.77 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -72.23 -50.61 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.0 mt -56.67 -47.72 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 663' ' ' MET . 42.1 t -51.3 -50.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -70.42 -31.31 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.14 -46.43 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.668 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 14.8 t80 -62.03 -56.75 15.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -59.46 -21.9 60.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.7 -38.91 61.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . 0.44 ' HG3' ' HB1' ' A' ' 54' ' ' ALA . 6.9 mtp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.747 0.308 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 57.0 t80 -52.77 -51.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -34.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.15 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -19.52 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 18' ' ' PHE . . . -61.87 -50.19 73.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.32 -25.65 41.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -23.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -56.24 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -61.85 -24.06 66.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.14 -50.02 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -54.3 -50.32 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.2 mp -65.77 -48.15 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.62 -46.16 89.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -72.86 -39.54 66.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.38 -27.77 67.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.778 0.323 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -54.31 -53.19 57.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.45 -53.26 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -64.56 -35.94 82.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -30.64 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -68.84 -32.63 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 34.0 t80 -73.51 -54.04 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.78 -32.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -44.24 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.18 62.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.61 -40.1 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -63.97 -46.42 84.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.68 HG21 HD13 ' B' ' 666' ' ' LEU . 21.5 t -62.53 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -49.1 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 71' ' ' VAL . 93.9 m -55.34 -49.73 71.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.8 -29.04 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.43 -43.37 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -74.42 -32.24 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 67' ' ' THR . 57.5 t -68.52 -34.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.51 -50.29 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.543 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 45.3 mt-30 -62.01 -33.31 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.4 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.499 ' ND2' HG12 ' A' ' 71' ' ' VAL . 70.0 m-80 -69.53 -36.24 76.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' B' ' 640' ' ' LEU . 40.2 mt -70.75 -33.36 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.27 -59.51 3.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.46 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -53.21 40.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.91 0.386 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.65 96.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.45 -47.52 83.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.504 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -51.75 -42.77 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -61.96 -27.08 68.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 54.6 m -61.39 -33.91 74.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.883 0.373 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.2 -47.3 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.87 -43.12 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 t -70.48 -30.48 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -52.83 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.63 93.64 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -55.53 -32.36 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -66.45 -31.99 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.561 HD12 ' CZ2' ' B' ' 659' ' ' TRP . 76.6 mt -73.24 -41.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.68 98.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.7 -31.13 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.51 -52.66 14.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -61.85 -29.62 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.58 -24.68 36.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.407 ' HB2' HD22 ' A' ' 76' ' ' LEU . 12.5 mt -106.55 32.46 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -40.48 96.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.05 50.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -57.08 142.16 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 92.62 2.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -69.17 -6.66 54.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.03 -14.13 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.9 p -105.14 -31.07 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.68 -134.84 1.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.42 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.663 HD12 HG11 ' A' ' 71' ' ' VAL . 63.6 mt -53.65 137.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 158.77 19.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -55.63 -41.17 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.92 -42.72 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.42 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -54.28 -49.74 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -29.7 18.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.95 -48.59 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.98 -50.72 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' B' ' 633' ' ' ILE . 70.1 t-105 -51.8 -59.26 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.74 -52.67 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -52.24 -32.88 38.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.18 5.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.543 ' O ' HG12 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.04 -31.35 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.29 -53.84 49.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' B' ' 669' ' ' ALA . 43.7 t0 -74.69 -26.7 60.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -72.14 -58.4 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 663' ' ' MET . 8.6 p -54.49 -41.8 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . 0.461 ' N ' HG13 ' B' ' 667' ' ' VAL . 20.5 ptt180 -72.63 -31.17 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' B' ' 665' ' ' ASP . . . -58.69 -25.63 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.504 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 83.1 t80 -85.6 -58.2 2.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -58.8 -55.49 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.02 -46.92 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 59.3 ttp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.822 0.344 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -54.22 -42.51 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.71 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.21 -51.77 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.22 -38.67 90.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.59 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.15 -27.64 69.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -33.2 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ttm -56.92 -57.49 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.99 21.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -76.33 -35.89 58.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -48.62 73.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.414 ' H ' HD12 ' A' ' 29' ' ' ILE . 3.6 mp -66.92 -47.49 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.66 -45.82 67.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -73.01 -44.09 61.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.43 78.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.775 0.322 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.4 -53.98 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.06 61.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.23 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.57 -37.26 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.99 65.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -65.74 -36.89 84.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.41 -54.77 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.35 -33.88 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.25 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.51 -36.09 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.43 -30.56 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -72.07 -42.62 66.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.767 HG21 HD11 ' B' ' 666' ' ' LEU . 14.3 t -64.72 -47.05 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -51.18 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 71' ' ' VAL . 96.9 m -55.16 -37.86 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 64' ' ' LYS . 34.0 mt -76.27 -37.3 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.7 -34.44 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.87 -44.13 21.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 67' ' ' THR . 60.4 t -62.46 -37.41 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.03 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.63 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 74.9 mt-30 -68.98 -34.06 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.0 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.12 -33.4 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.71 -31.21 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.15 -63.45 3.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.92 -44.14 82.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.762 0.315 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.99 -56.08 26.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -73.09 -32.24 64.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.357 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.21 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.11 -25.82 18.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.426 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.1 m -55.56 -36.07 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.81 -47.92 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.19 -37.62 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 m -71.18 -32.12 68.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -50.13 68.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -47.14 54.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.525 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.36 -38.73 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.729 0.3 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.74 -43.86 76.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 50.1 mt -73.23 -32.66 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.18 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 631' ' ' ALA . 94.4 t -56.19 -51.21 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -53.51 -37.55 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.426 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.7 -31.87 63.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.24 -24.65 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.36 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.4 mt -107.32 26.94 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . 0.426 ' NE2' HE21 ' B' ' 637' ' ' GLN . 7.3 mm-40 -52.1 -46.55 65.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.2 m -55.38 -26.47 41.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.71 -30.41 40.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -53.97 148.39 10.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -97.95 -60.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.96 -21.0 42.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.45 -25.45 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.7 p -66.94 -29.1 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.17 -114.7 0.57 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.508 ' HB ' HG11 ' A' ' 71' ' ' VAL . 62.1 mt -53.93 143.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.51 175.95 5.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.5 -39.2 91.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -73.89 -40.31 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.07 74.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -66.7 -54.06 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -53.33 -28.5 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -84.22 -54.35 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.16 -50.66 70.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -52.05 -55.88 17.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.75 -47.19 64.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -62.46 -32.57 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.55 17.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.836 ' HA ' HD12 ' B' ' 666' ' ' LEU . 34.8 mmm -58.42 -52.38 65.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.13 -32.54 35.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.37 -51.31 21.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.8 mt -55.01 -47.2 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 663' ' ' MET . 92.1 t -51.49 -51.24 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -70.58 -30.31 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -55.66 -50.06 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.86 -49.09 77.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -63.62 -22.12 66.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.84 -38.72 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 45.0 ttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.544 ' CE1' HD23 ' A' ' 69' ' ' LEU . 13.9 t80 -70.4 -44.24 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.66 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.72 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -28.47 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -50.54 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.62 74.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.547 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -28.94 49.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -58.79 6.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -42.41 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -55.63 -25.87 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -78.04 -40.82 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.551 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 30.9 mm -64.98 -46.65 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.89 -28.83 73.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -35.6 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 -34.73 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.842 0.354 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.77 -54.09 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.06 -47.29 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.25 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -70.92 -38.53 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.0 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.551 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 3.4 t80 -65.26 -54.76 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.02 -32.44 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.68 86.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.24 -37.42 38.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.3 -31.48 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -35.24 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -50.08 38.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.005 HG21 HD11 ' B' ' 666' ' ' LEU . 21.6 t -59.03 -44.45 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.12 -41.68 93.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.1 m -70.87 -32.29 69.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' B' ' 658' ' ' GLN . 64.9 mt -76.2 -26.57 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.633 HD21 HD13 ' B' ' 633' ' ' ILE . 2.4 mt -74.51 -29.64 61.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -80.07 -53.3 6.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.056 HG21 HD12 ' B' ' 650' ' ' ILE . 27.2 m -54.28 -38.04 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.16 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.675 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 75.8 mt-30 -57.5 -33.29 67.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.13 -27.87 59.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -82.01 -43.59 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.77 -22.17 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 -78.23 0.71 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.2 -30.96 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.784 0.326 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -66.6 -42.92 93.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -61.08 -49.64 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.32 -36.88 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.058 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -73.26 -24.46 75.36 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.403 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.3 m -55.62 -43.72 76.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.127 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.583 ' H ' HD22 ' B' ' 626' ' ' LEU . 1.2 mm? -68.87 -39.17 79.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -52.63 -45.8 66.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 23.1 t -76.17 -39.97 53.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -52.7 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.79 -35.25 90.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.442 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -56.1 -32.55 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.47 -35.68 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.633 HD13 HD21 ' A' ' 69' ' ' LEU . 80.0 mt -73.51 -41.52 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.14 96.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.24 -31.05 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -52.89 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.58 -26.55 63.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.19 -24.13 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.89 24.5 6.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -51.51 -49.49 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 17.6 m -61.03 -24.76 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.13 -22.78 38.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -51.44 147.97 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -106.35 -41.62 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 63.82 14.54 55.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.539 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -111.38 23.75 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.969 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.7 p -116.02 -27.97 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 159.14 -48.13 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 1.056 HD12 HG21 ' A' ' 71' ' ' VAL . 48.6 mt -105.25 141.96 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.389 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.94 167.12 11.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -59.91 -41.17 91.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.33 -42.72 58.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.56 74.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -54.46 -54.63 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -53.07 -28.78 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.04 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.564 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.2 mt-30 -76.16 -52.56 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.453 ' CH2' HG13 ' A' ' 65' ' ' VAL . 58.9 t-105 -51.88 -46.68 64.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -53.15 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -58.11 -48.0 81.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.23 48.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.804 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -52.71 -57.77 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.21 -33.04 39.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -68.32 -46.85 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 1.005 HD11 HG21 ' A' ' 65' ' ' VAL . 2.2 mt -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 78.8 t -53.36 -53.01 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.69 66.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.1 -42.49 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -75.12 -51.62 13.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -58.3 -22.75 54.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -40.51 63.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 tmm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.835 0.35 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -52.14 -49.54 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.4 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.83 -44.93 74.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -31.67 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.64 -50.21 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.47 -29.98 75.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -25.37 60.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.558 ' HA ' HD21 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -53.2 -58.77 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -60.78 -39.24 88.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.09 -44.18 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -63.58 -35.56 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.548 HD12 ' HZ ' ' A' ' 58' ' ' PHE . 27.1 mm -72.92 -37.46 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.79 -40.01 95.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.58 -49.78 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.24 -27.98 62.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -62.24 -54.12 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -55.06 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.3 95.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -61.74 -39.03 90.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.96 66.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -64.9 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' HZ ' HD12 ' A' ' 29' ' ' ILE . 3.4 t80 -65.87 -54.91 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.03 -33.63 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.32 88.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -35.62 40.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -52.93 -31.51 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -52.73 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.493 ' HB ' HD11 ' B' ' 666' ' ' LEU . 7.3 p -63.23 -31.68 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.72 -51.5 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.757 ' O ' HG23 ' A' ' 71' ' ' VAL . 87.1 m -58.28 -52.12 66.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -52.94 -39.7 63.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.6 -41.34 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -79.84 -32.29 40.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.782 HG11 HD12 ' B' ' 650' ' ' ILE . 53.0 t -61.97 -51.5 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.26 63.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.536 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 79.4 mt-30 -62.92 -33.72 75.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.57 -51.45 59.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.6 HD21 HG12 ' A' ' 71' ' ' VAL . 16.6 m-80 -66.66 -39.32 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.493 HD13 HD12 ' B' ' 640' ' ' LEU . 48.9 mt -70.72 -30.19 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.18 -79.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.85 -29.03 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.79 0.329 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.98 -45.83 61.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -53.59 -56.33 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.96 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.531 ' HA ' HD13 ' B' ' 626' ' ' LEU . . . -51.88 -38.28 55.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.93 -24.43 49.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -75.78 -30.97 59.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' B' ' 623' ' ' ALA . 10.7 mp -62.35 -42.17 99.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -52.84 28.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 2.6 m -59.82 -52.93 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 25' ' ' MET . 15.9 tp -54.22 -52.76 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.6 -45.59 54.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.628 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 72.4 mt -73.11 -38.46 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.74 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 631' ' ' ALA . 67.2 t -76.39 -35.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.03 -50.6 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -64.75 -29.89 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.4 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.493 HD12 HD13 ' A' ' 76' ' ' LEU . 9.0 mt -99.83 24.58 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -56.82 -43.0 80.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -56.97 -26.03 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.04 -26.13 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -51.62 146.44 7.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 93.89 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -73.77 -2.83 61.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.5 -15.26 63.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.953 0.406 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -30.66 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.55 -133.57 1.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.782 HD12 HG11 ' A' ' 71' ' ' VAL . 62.2 mt -53.73 137.66 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.09 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.35 160.31 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -57.17 -40.74 77.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -73.98 -42.45 60.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.92 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -54.42 -51.18 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -51.96 -29.44 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.4 -27.38 20.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.22 -52.99 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -52.53 -52.76 53.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.63 -46.75 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -60.72 -42.63 97.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -65.46 -54.38 29.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.791 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.6 OUTLIER -51.82 -50.11 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -33.15 56.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -73.48 -43.35 60.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' B' ' 663' ' ' MET . 10.2 mt -59.58 -56.02 27.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 19.7 m -55.72 -39.02 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -70.41 -35.53 73.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.3 64.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.44 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 30.5 t80 -62.74 -47.17 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.51 -27.29 68.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.56 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 25.1 ttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.443 ' O ' ' HB3' ' A' ' 20' ' ' ALA . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.798 0.333 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.01 -51.81 54.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.87 54.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -61.83 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -33.89 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.11 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -30.48 77.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.27 -31.58 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.622 ' HA ' HD13 ' B' ' 629' ' ' LEU . 29.7 tpp -64.43 -58.68 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -29.15 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.93 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.4 -41.73 93.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.526 HG13 HD21 ' B' ' 626' ' ' LEU . 5.0 mp -73.07 -47.77 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.43 64.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -72.95 -35.78 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.9 -54.07 49.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.37 -31.42 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.19 -36.97 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -66.14 -35.54 80.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.01 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -63.53 -42.09 98.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.3 t80 -62.47 -54.69 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.63 -32.77 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -35.07 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.29 -39.27 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.26 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -32.44 65.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 5.5 tmtp? -74.53 -39.95 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.851 HG21 HD22 ' B' ' 666' ' ' LEU . 20.1 t -70.72 -44.81 76.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.82 -49.69 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 m -59.25 -35.13 73.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.7 mt -73.45 -43.13 60.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.82 -44.43 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.95 -43.23 93.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 67' ' ' THR . 99.6 t -65.93 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.05 72.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.523 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 81.9 mt-30 -71.65 -36.91 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.46 88.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -73.14 -42.33 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.435 HD13 HD12 ' B' ' 640' ' ' LEU . 99.0 mt -71.34 -30.08 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.83 -73.22 1.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -30.2 24.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.842 0.353 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.9 -31.67 55.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -62.01 -42.36 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.503 ' O ' HG13 ' B' ' 667' ' ' VAL . . . -57.02 -50.62 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -63.92 -26.03 69.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 25.4 m -56.81 -43.87 81.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.199 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 666' ' ' LEU . 6.6 mp -68.37 -47.4 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . 0.624 ' CG ' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -52.93 -51.89 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.622 HD13 ' HA ' ' A' ' 25' ' ' MET . 1.1 tt -74.35 -33.91 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.67 -49.13 67.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.684 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -55.99 -36.85 68.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.37 -44.47 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 62.6 mt -73.16 -39.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.14 -32.26 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 631' ' ' ALA . 89.5 t -77.15 -32.66 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -65.53 -52.49 52.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -62.57 -29.66 70.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.55 -25.03 36.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 76' ' ' LEU . 7.9 mt -107.05 25.99 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -52.12 -51.44 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -26.22 43.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' B' ' 640' ' ' LEU . . . -76.33 -31.68 58.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -52.09 148.53 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.11 -72.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.4 -17.88 52.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -95.9 26.16 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 30.9 p -119.22 -30.32 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.22 -83.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.9 mt -88.03 143.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.7 175.5 5.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -66.84 -38.67 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -73.67 -40.25 63.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . 0.678 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -71.37 -41.89 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -63.09 -40.38 97.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.25 -55.98 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.23 -43.93 80.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.678 HE21 ' HB1' ' B' ' 654' ' ' ALA . 50.8 mt-30 -56.16 -51.79 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -52.03 -59.15 4.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -52.1 -46.0 65.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -63.01 -29.16 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.58 -54.48 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.734 ' O ' HG23 ' B' ' 667' ' ' VAL . 83.8 mmm -56.88 -38.77 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.4 -56.14 23.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.83 -28.36 64.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.851 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.68 -37.1 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 663' ' ' MET . 54.8 t -72.19 -49.7 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -59.36 -30.64 68.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.12 -30.48 62.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -85.75 -37.4 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.85 -18.58 61.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.52 63.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.759 0.314 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.05 -50.73 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.17 -46.37 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.06 88.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -43.32 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.46 70.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -32.26 83.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.414 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -26.8 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.414 ' O ' HD12 ' A' ' 29' ' ' ILE . 41.5 tpp -60.72 -58.71 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -55.55 -26.1 41.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.5 -32.01 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -69.66 -41.72 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.15 -50.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.42 68.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -72.87 -34.13 66.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.34 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.783 0.325 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.56 -54.07 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.47 -43.94 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.74 -42.15 86.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -61.01 -42.91 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.92 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -66.85 -33.54 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.4 t80 -70.81 -54.99 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.05 -34.17 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.06 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -37.63 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.54 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.33 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -61.68 -52.76 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.07 -31.42 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.94 -53.71 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.0 m -54.12 -47.02 72.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' B' ' 650' ' ' ILE . 77.6 mt -61.84 -39.66 92.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -45.46 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.76 -48.8 62.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 67' ' ' THR . 75.2 t -54.47 -33.09 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -50.1 75.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.487 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 25.8 mt-30 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.55 77.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.26 -37.23 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.66 -30.23 61.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 -76.94 0.94 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.416 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.33 -30.48 28.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . 0.409 ' HB2' ' HE1' ' B' ' 671' ' ' HIS . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.448 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -70.19 -56.38 6.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.616 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -51.6 -42.61 62.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -57.85 -24.41 53.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 15.5 m -66.0 -45.6 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.773 HD13 HD11 ' B' ' 666' ' ' LEU . 17.6 mt -68.14 -36.57 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.97 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 10.4 t -73.57 -53.19 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -32.6 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.11 -48.72 77.47 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -64.12 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -55.94 -41.02 74.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 75.9 mt -73.16 -36.51 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.94 -29.1 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 631' ' ' ALA . 91.7 t -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -67.58 -51.83 45.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -64.5 -29.79 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.16 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.21 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.73 25.61 9.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -52.01 -48.2 64.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 2.3 m -57.91 -26.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.15 59.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.01 150.2 4.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -93.39 -66.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.6 -29.52 12.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -97.99 25.33 6.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.969 0.414 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 81.2 p -126.87 24.46 6.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.75 -106.12 0.9 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.431 ' CD1' HD23 ' A' ' 68' ' ' LEU . 59.6 mt -79.38 143.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.159 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . 0.407 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -99.21 173.57 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . 0.407 ' H ' HG22 ' B' ' 651' ' ' THR . 55.9 p90 -65.29 -38.66 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.53 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . 0.518 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.52 -44.03 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -60.36 -41.9 94.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -57.39 -55.85 29.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.25 87.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.518 HE21 ' HB1' ' B' ' 654' ' ' ALA . 46.7 mt-30 -56.25 -52.85 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -53.51 -55.85 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -51.53 -44.47 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -65.19 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.76 -55.14 6.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.66 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.5 OUTLIER -57.42 -40.82 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.43 -55.8 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -69.03 -28.48 66.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.773 HD11 HD13 ' B' ' 626' ' ' LEU . 0.1 OUTLIER -69.15 -35.45 76.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 663' ' ' MET . 72.3 t -66.33 -52.08 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -68.2 -30.49 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.85 46.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.616 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 82.8 t80 -85.77 -57.92 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . 0.409 ' HE1' ' HB2' ' B' ' 620' ' ' ALA . 8.6 t60 -58.53 -22.04 54.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.89 -30.68 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.807 0.336 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.583 ' CD1' ' HB1' ' A' ' 79' ' ' ALA . 21.7 t80 -74.55 -51.7 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.37 70.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.44 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -35.09 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -49.4 69.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.15 -37.43 94.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.412 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.607 ' HB3' HD11 ' B' ' 629' ' ' LEU . 1.9 mm? -60.6 -36.85 79.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 0.0 110.892 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.483 ' HA ' HD13 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -60.21 -58.34 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -54.18 -27.37 33.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -69.24 -43.67 73.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -60.93 -47.76 84.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 4.4 mp -71.71 -47.07 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.98 -46.56 76.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.0 -43.33 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.8 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.21 -54.05 49.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.94 -48.63 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -68.11 -41.98 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.86 -30.82 67.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -67.15 -33.74 76.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 93.1 t80 -70.76 -54.82 10.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.9 -33.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.09 97.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' B' ' 666' ' ' LEU . . . -79.22 -35.69 41.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.87 58.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.67 70.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -72.85 -52.6 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG11 HD13 ' B' ' 666' ' ' LEU . 7.4 p -62.75 -31.68 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.89 -53.62 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -56.08 -40.41 73.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.448 ' HA ' HG22 ' A' ' 71' ' ' VAL . 79.7 mt -67.43 -26.58 66.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.87 -30.12 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.36 -51.57 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.817 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.84 HG21 HD12 ' B' ' 650' ' ' ILE . 31.7 m -58.42 -32.91 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.26 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.683 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 39.9 mt-30 -71.64 -34.06 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.26 -30.91 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -80.88 -43.36 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.441 HD13 HD12 ' B' ' 640' ' ' LEU . 68.8 mt -75.66 -25.22 56.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.98 -71.37 1.95 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.581 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -52.23 -38.91 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.907 0.384 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.35 -31.99 57.24 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -72.27 -33.37 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.7 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.57 -38.88 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.44 36.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 5.7 m -62.27 -40.24 95.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.653 HD13 HD21 ' B' ' 666' ' ' LEU . 86.3 mt -68.17 -37.58 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.28 -39.0 89.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.0 t -75.8 -53.13 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.92 -41.19 95.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.02 -39.99 50.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.79 -40.06 72.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.34 -32.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.92 -53.48 31.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.4 -40.81 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.12 -39.65 90.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.582 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.71 -31.6 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.22 -24.55 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.24 -24.01 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 76' ' ' LEU . 10.3 mt -109.35 28.51 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . 0.582 ' NE2' HE21 ' B' ' 637' ' ' GLN . 6.7 mm-40 -55.53 -47.37 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 12.0 p -55.4 -26.32 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.98 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -53.28 144.58 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.07 -64.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 98.27 -19.67 53.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.77 26.96 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 23.2 p -119.27 -30.37 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.63 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 71' ' ' VAL . 58.8 mt -75.03 142.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 171.57 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -73.62 -41.31 62.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.27 74.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -60.28 -42.23 95.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -55.85 -55.95 26.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.52 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.7 mt-30 -56.14 -52.47 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -51.96 -56.3 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -48.46 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -60.43 -33.41 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.588 ' O ' HG22 ' B' ' 667' ' ' VAL . 74.7 mmm -61.08 -32.58 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.13 -56.36 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -75.49 -28.01 59.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.653 HD21 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -67.08 -48.8 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 663' ' ' MET . 14.8 m -73.49 -30.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.3 -40.52 74.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.22 -52.14 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.7 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 38.5 t80 -59.61 -32.5 70.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.43 -25.78 66.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.933 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.46 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.6 tmm? . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.93 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.864 0.364 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.0 -51.74 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.54 -43.81 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.96 63.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -76.73 -40.98 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -37.32 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.27 -48.53 37.81 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.887 HD23 HD11 ' B' ' 629' ' ' LEU . 2.4 tp -61.11 -26.24 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -58.63 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -53.2 -28.66 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -73.77 -33.91 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.597 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.5 OUTLIER -67.42 -46.79 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.451 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.5 mp -73.01 -46.02 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.62 -41.69 65.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -37.55 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.89 -27.75 65.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.37 -54.11 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.37 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.02 96.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -63.13 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -31.05 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 3.5 t80 -63.72 -54.77 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.78 -33.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.51 77.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.17 41.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.09 -36.99 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.57 -29.27 61.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -74.61 -44.34 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.884 HG21 HD22 ' B' ' 666' ' ' LEU . 20.8 t -69.8 -41.26 79.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -66.68 -47.91 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -63.7 -33.14 74.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.431 ' HA ' HG22 ' A' ' 71' ' ' VAL . 40.8 mt -76.2 -27.68 56.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 69' ' ' LEU . 4.7 mt -72.27 -30.12 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -49.0 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.839 HG21 HD12 ' B' ' 650' ' ' ILE . 30.7 m -61.07 -32.84 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.86 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.562 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 64.0 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.42 -52.63 25.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -57.13 -35.87 70.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.36 -25.6 33.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.33 -71.56 1.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -46.58 65.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -51.78 -29.47 26.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -50.64 -32.03 17.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.369 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.85 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.69 -24.07 31.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 90.1 m -55.26 -32.89 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.128 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.467 HD12 HG22 ' A' ' 28' ' ' THR . 11.2 mp -68.27 -43.38 77.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . 0.782 ' HB2' HG11 ' B' ' 667' ' ' VAL . 3.3 tt0 -69.91 -48.9 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 30.9 t -56.37 -51.7 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.887 HD11 HD23 ' A' ' 24' ' ' LEU . 4.1 tt -54.51 -36.07 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.27 -42.11 81.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.25 65.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.315 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -55.99 -39.17 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.34 -33.26 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.24 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.41 -31.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.07 -52.83 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -65.96 -29.72 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.7 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.55 -24.17 34.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -106.97 28.31 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -61.27 -46.06 91.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.9 p -55.46 -26.35 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -80.5 -26.45 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -53.29 147.83 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -95.18 -72.03 0.64 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.9 -19.66 43.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.02 26.21 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.2 p -118.92 -29.76 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.54 -88.22 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.839 HD12 HG21 ' A' ' 71' ' ' VAL . 60.1 mt -84.34 143.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.51 174.1 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.05 -38.84 92.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -73.75 -42.57 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . 0.665 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.23 -42.38 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -62.0 -40.92 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -55.98 26.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.07 71.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.665 HE21 ' HB1' ' B' ' 654' ' ' ALA . 61.9 mt-30 -56.11 -48.71 75.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -51.96 -59.28 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.3 -54.27 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -56.88 -27.39 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -74.54 -54.59 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.441 ' HB3' ' HE3' ' B' ' 663' ' ' MET . 75.5 mmm -57.85 -35.54 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -58.56 -56.01 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.72 -27.71 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.884 HD22 HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -63.81 -47.88 79.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' B' ' 627' ' ' GLN . 22.7 m -73.99 -30.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -67.08 -31.06 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.77 -51.74 67.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.06 -40.05 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -21.23 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.92 -38.56 62.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 46.8 ttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.872 0.368 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -77.38 -35.42 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.01 -32.34 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.81 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -65.22 -38.11 89.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.38 -47.04 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.93 -50.11 54.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -32.36 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.68 ' HE3' HD12 ' B' ' 629' ' ' LEU . 0.7 OUTLIER -53.06 -58.78 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.761 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -53.79 -31.45 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -75.37 -36.22 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -46.16 76.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.8 mp -73.24 -52.6 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.51 -45.17 67.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.16 -35.71 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -46.34 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.837 -179.872 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.8 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.753 0.311 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.89 -54.15 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -32.15 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.77 -33.79 52.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -71.74 -34.67 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.89 65.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -64.99 -38.81 92.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.447 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -65.72 -54.77 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.3 -33.3 47.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.69 90.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.42 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.54 46.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.75 -30.95 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.5 OUTLIER -74.51 -46.95 35.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.909 HG21 HD22 ' B' ' 666' ' ' LEU . 20.6 t -66.18 -39.6 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -47.56 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.74 -34.18 77.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' B' ' 658' ' ' GLN . 51.8 mt -76.25 -27.1 56.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.479 HD11 ' SD ' ' A' ' 25' ' ' MET . 8.2 mt -72.66 -30.15 64.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.34 -52.34 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.968 HG21 HD12 ' B' ' 650' ' ' ILE . 33.1 m -58.76 -33.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.1 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.652 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 31.0 mt-30 -71.68 -34.13 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.19 -36.63 77.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -80.99 -40.58 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.496 HD13 HD12 ' B' ' 640' ' ' LEU . 54.3 mt -72.78 -30.47 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.95 -72.46 1.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -52.08 -36.39 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.838 0.351 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.1 -42.29 61.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.424 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -64.24 -37.39 87.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.32 -33.09 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -70.12 -27.74 72.53 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -55.69 -36.74 67.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.14 -36.38 79.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -46.9 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -30.49 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.68 HD12 ' HE3' ' A' ' 25' ' ' MET . 0.6 OUTLIER -67.37 -38.09 84.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.14 -47.12 75.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.31 -38.37 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -44.01 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.26 -37.22 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.4 -49.73 75.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 631' ' ' ALA . 97.3 t -56.78 -51.38 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.59 -37.17 62.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.603 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.79 -31.9 63.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.47 -24.66 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.16 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.496 HD12 HD13 ' A' ' 76' ' ' LEU . 10.7 mt -108.1 31.66 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . 0.603 ' NE2' HE21 ' B' ' 637' ' ' GLN . 7.9 mm-40 -59.01 -48.79 80.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.2 m -55.67 -25.98 42.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.61 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -52.15 147.04 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -94.33 -71.19 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.91 -19.87 40.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.413 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.11 25.95 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 14.0 p -119.79 -30.96 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.84 -98.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.572 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.968 HD12 HG21 ' A' ' 71' ' ' VAL . 58.1 mt -74.07 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.56 172.13 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -64.62 -38.87 92.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.76 -41.22 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.96 -43.8 74.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -61.52 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . 0.429 ' NE2' HE22 ' B' ' 637' ' ' GLN . 3.8 mm-40 -53.06 -55.89 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.96 -41.85 81.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.448 ' HB3' HD11 ' A' ' 68' ' ' LEU . 21.1 mt-30 -56.23 -44.12 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -64.36 -56.4 14.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -51.07 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -59.71 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -59.55 -54.48 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.732 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -54.53 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.895 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.26 -55.85 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.13 -28.48 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.909 HD22 HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -66.23 -36.84 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 663' ' ' MET . 40.6 t -73.49 -51.38 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.88 -30.73 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.62 51.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.69 -54.51 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -55.95 -25.48 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.72 63.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 -179.977 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.793 0.33 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 72' ' ' ALA . 74.4 t80 -73.93 -41.51 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.87 64.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -76.7 -27.13 55.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.73 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.84 -27.17 73.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -27.63 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -58.71 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -57.89 -25.69 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -72.35 -41.26 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -59.76 -49.12 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.631 HG13 HD21 ' B' ' 626' ' ' LEU . 4.8 mp -73.08 -46.52 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -45.72 68.13 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.96 -34.29 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.931 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.72 0.295 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -56.17 -54.04 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.38 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HB1' ' CG ' ' B' ' 673' ' ' MET . . . -78.13 -36.67 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -65.16 -35.48 81.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.47 -30.93 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -65.91 -36.9 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -67.65 -54.91 15.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.78 -33.76 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.88 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -36.63 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.79 -34.48 53.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.06 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 4.3 tmtp? -73.56 -48.59 31.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.965 HG21 HD22 ' B' ' 666' ' ' LEU . 21.3 t -68.63 -36.61 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -46.46 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 71' ' ' VAL . 96.7 m -64.92 -52.03 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.7 mt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.543 HD21 HD13 ' B' ' 633' ' ' ILE . 5.5 mt -57.04 -40.69 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -79.67 -34.69 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 67' ' ' THR . 58.2 t -61.36 -43.48 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . . . -51.77 -43.79 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.651 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 68.1 mt-30 -65.43 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.405 HD21 HG12 ' A' ' 71' ' ' VAL . 27.0 m-80 -73.18 -34.71 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.78 -25.52 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.71 -45.1 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.651 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.903 0.383 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.91 -50.68 49.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -56.32 -49.24 74.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.499 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.86 53.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -61.61 -29.37 70.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.067 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.631 HD21 HG13 ' A' ' 29' ' ' ILE . 10.3 mp -67.8 -42.47 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -68.76 -35.29 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 47.5 t -76.1 -53.15 8.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.409 HD12 ' O ' ' B' ' 629' ' ' LEU . 10.8 tp -64.55 -44.27 91.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.55 55.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.411 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.64 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.42 -37.82 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.543 HD13 HD21 ' A' ' 69' ' ' LEU . 65.9 mt -73.34 -33.12 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.18 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.6 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.36 -31.34 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -52.74 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -29.67 70.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.59 61.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.77 -27.81 33.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -99.56 25.78 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -53.35 -52.83 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -26.38 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.92 -24.25 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -55.6 135.69 50.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -109.66 111.92 23.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -83.08 4.6 80.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 18.96 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.75 -31.16 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.69 -119.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.644 HD12 HG11 ' A' ' 71' ' ' VAL . 60.8 mt -53.69 143.03 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.77 169.84 9.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -62.66 -40.14 96.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.8 -42.89 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.68 91.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -64.58 -51.11 64.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -51.91 -30.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -91.44 -25.22 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -76.23 -52.12 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -55.51 -53.11 60.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -57.8 -57.41 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -52.13 -47.49 65.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -60.87 -54.36 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.746 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.1 OUTLIER -51.46 -38.8 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.3 -56.02 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.39 -28.38 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.965 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.76 -37.34 87.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 663' ' ' MET . 46.2 t -72.92 -48.29 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -51.83 -30.78 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.81 62.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.499 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 33.4 t80 -81.22 -58.25 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -55.27 -35.92 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.49 -48.35 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . 0.403 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 2.3 ttp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -58.66 -44.27 90.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.77 -42.12 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -26.1 60.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -71.01 -50.44 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.34 -28.74 73.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.15 -26.3 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.401 ' HE3' ' HG ' ' B' ' 629' ' ' LEU . 0.1 OUTLIER -55.78 -58.74 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.832 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -57.35 -25.22 59.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.98 -25.78 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -73.02 -46.47 51.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.538 HG23 ' CE1' ' A' ' 58' ' ' PHE . 4.7 mp -73.03 -47.5 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.893 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.65 -47.18 64.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -72.94 -39.85 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.82 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.942 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.94 -54.07 51.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.4 60.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -66.09 -36.28 82.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -30.95 65.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -63.48 -41.87 98.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.538 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.3 t80 -62.69 -54.7 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.49 -32.69 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.12 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.31 -35.21 41.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -53.07 -31.55 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.02 -29.54 70.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.2 tmtp? -74.55 -52.5 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.6 p -66.6 -31.62 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.48 -53.47 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 m -55.28 -49.32 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 64' ' ' LYS . 27.8 mt -51.92 -40.23 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 22' ' ' ALA . 2.8 mt -59.37 -37.02 76.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.72 -32.61 62.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 67' ' ' THR . 41.4 t -74.95 -33.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.76 90.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.661 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 56.6 mt-30 -68.9 -34.47 75.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.4 -35.29 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.95 -36.6 56.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -30.97 41.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.49 -64.17 3.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -44.81 66.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.805 0.336 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.0 -33.73 44.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.79 -48.73 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.696 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -54.97 -34.88 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.03 -24.44 35.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -35.07 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.422 HD22 ' N ' ' B' ' 626' ' ' LEU . 3.3 mm? -68.09 -37.02 80.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 631' ' ' ALA . 21.7 tt0 -69.72 -39.22 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -53.16 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.401 ' HG ' ' HE3' ' A' ' 25' ' ' MET . 12.1 tp -61.49 -52.62 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.4 87.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' B' ' 627' ' ' GLN . . . -57.8 -41.14 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.85 -31.78 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.577 HD13 HD21 ' A' ' 69' ' ' LEU . 80.6 mt -73.14 -35.0 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.98 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.41 -32.37 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.26 -50.99 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.69 -29.82 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.19 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.6 -25.26 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.94 26.46 8.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -54.84 -44.03 73.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -62.31 -26.75 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.68 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -52.41 148.76 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -92.56 -64.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.73 -28.99 13.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -99.61 25.78 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 57.8 p -126.92 24.59 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.34 -107.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.78 143.83 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.11 175.5 5.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -66.54 -38.21 86.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.47 -41.3 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.65 69.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -60.96 -43.9 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.45 -55.91 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.41 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.19 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.93 -51.67 55.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.88 -53.36 41.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -53.44 -46.86 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.88 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.677 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.3 OUTLIER -52.84 -57.8 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -52.27 -35.7 50.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -64.97 -48.98 72.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 663' ' ' MET . 3.4 mt -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 663' ' ' MET . 18.2 t -62.01 -51.27 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.04 -27.45 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.696 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 6.7 t80 -85.61 -58.26 2.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.89 -27.4 51.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.9 -50.47 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 5.5 tmm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.547 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 56.8 t80 -56.35 -48.8 76.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.88 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -77.14 -35.97 55.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.592 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -53.49 -50.67 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.58 -25.52 70.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.565 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.67 -30.07 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.586 ' HE2' HD22 ' B' ' 629' ' ' LEU . 31.5 tpp -53.45 -58.97 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -57.93 -24.79 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 m -51.91 -41.89 62.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.8 mp -73.04 -48.37 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.56 -45.74 66.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.526 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -36.73 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.22 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.962 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.1 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.82 0.343 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -54.2 -54.11 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.04 37.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.51 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -74.05 -39.14 63.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.89 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -66.05 -37.06 84.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CD2' ' HB3' ' B' ' 669' ' ' ALA . 3.4 t80 -67.44 -54.83 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.98 -33.67 42.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.38 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -33.16 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -51.56 -31.49 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.18 92.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -60.13 -52.59 64.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' B' ' 666' ' ' LEU . 7.3 p -64.89 -36.43 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -44.64 90.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 m -65.98 -50.25 64.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.456 HD11 ' HD2' ' A' ' 64' ' ' LYS . 54.3 mt -51.58 -34.35 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.592 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -55.47 -54.9 38.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.872 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.0 -40.15 80.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.409 HG11 ' HB ' ' B' ' 650' ' ' ILE . 21.6 t -67.4 -32.89 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.84 -50.29 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 57.0 mt-30 -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.95 -52.5 28.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.51 -33.92 76.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.43 HD13 HD12 ' B' ' 640' ' ' LEU . 44.1 mt -79.66 -25.96 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.51 1.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -52.05 -44.97 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.84 0.352 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -39.68 56.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -57.07 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.547 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -55.93 -40.62 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.0 -26.89 28.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.6 m -68.6 -42.0 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 0.0 111.113 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.35 -45.02 85.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . 0.535 ' CB ' HG11 ' B' ' 667' ' ' VAL . 6.2 tt0 -55.07 -44.35 74.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.1 t -65.24 -52.81 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.586 HD22 ' HE2' ' A' ' 25' ' ' MET . 0.9 OUTLIER -55.49 -41.48 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.93 49.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -64.0 -35.83 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 111.046 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.81 -42.97 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.17 -32.72 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.96 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.054 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 631' ' ' ALA . 75.6 t -56.62 -51.49 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -53.63 -36.98 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.544 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.68 -31.62 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.72 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.79 -24.57 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 76' ' ' LEU . 11.9 mt -106.33 25.73 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . 0.544 ' NE2' HE21 ' B' ' 637' ' ' GLN . 13.6 mm-40 -52.04 -48.18 64.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.7 p -55.62 -26.27 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.67 -31.68 32.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -52.05 149.18 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -93.7 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.31 -24.25 26.12 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.95 26.14 4.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 35.5 p -115.82 -27.53 7.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.11 -73.1 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.409 ' HB ' HG11 ' A' ' 71' ' ' VAL . 62.2 mt -95.57 127.28 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.52 160.6 22.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -51.98 -41.79 62.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.95 -42.67 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.55 94.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -64.78 -51.99 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -29.97 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.75 -47.84 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -59.0 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.463 ' CZ3' HG23 ' A' ' 65' ' ' VAL . 68.4 t-105 -52.01 -43.92 63.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.99 -51.45 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.02 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.47 46.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.806 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.7 OUTLIER -53.32 -51.4 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -32.98 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.94 -42.41 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' B' ' 663' ' ' MET . 8.9 mt -60.77 -54.91 39.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.535 HG11 ' CB ' ' B' ' 627' ' ' GLN . 25.3 m -60.43 -37.48 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -70.38 -33.75 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.12 -51.36 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.547 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 30.6 t80 -53.59 -48.15 69.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -53.29 -30.37 38.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 39.3 ttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.912 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.777 0.323 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.96 -50.69 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.92 64.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.06 76.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -38.48 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.72 76.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.33 -31.47 68.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.11 -25.7 58.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.5 ' HA ' HD13 ' B' ' 629' ' ' LEU . 1.3 ttm -59.7 -58.93 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -52.07 -39.08 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.06 -41.75 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.0 m -70.85 -41.83 70.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.652 HD13 ' CD1' ' B' ' 626' ' ' LEU . 40.5 mm -53.0 -45.09 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.48 -36.19 54.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -34.04 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.8 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.92 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.04 -54.01 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.48 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.87 -39.13 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -63.14 -35.62 80.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.92 65.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.7 -41.64 98.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.504 ' HE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -63.07 -54.81 32.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.95 -32.93 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -41.47 27.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.427 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -51.77 -31.5 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.61 -35.66 77.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HG3' ' HB2' ' B' ' 662' ' ' ALA . 2.7 tptm -69.26 -53.44 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.755 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.4 p -57.5 -45.64 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -60.53 -41.16 93.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 71' ' ' VAL . 24.4 m -67.44 -26.98 66.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 65' ' ' VAL . 38.5 mt -69.59 -44.84 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -55.31 -40.4 71.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 67' ' ' THR . 85.2 t -76.05 -47.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.94 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.623 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 60.5 mt-30 -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.01 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -81.16 -38.78 26.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' B' ' 640' ' ' LEU . 96.4 mt -78.13 -26.35 47.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.13 -72.53 2.28 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.91 -40.19 60.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.02 -34.56 46.72 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -53.04 -53.56 48.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.47 43.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -60.35 -24.23 61.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 41.2 m -75.67 -41.01 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.86 0.362 . . . . 0.0 111.174 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.652 ' CD1' HD13 ' A' ' 29' ' ' ILE . 3.8 mm? -65.79 -53.99 32.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -32.4 65.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 8.6 t -72.61 -36.5 68.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -74.35 -51.3 15.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.97 -44.18 61.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -62.88 -40.79 98.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.91 -40.05 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.24 -46.75 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.63 -33.8 64.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 631' ' ' ALA . 69.1 t -77.34 -31.22 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.13 -52.79 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.72 -29.75 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.7 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.32 29.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.494 ' CD1' HD13 ' A' ' 76' ' ' LEU . 9.4 mt -99.55 26.8 5.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -60.89 -45.48 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -26.59 66.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.81 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -52.6 149.42 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -94.19 -64.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.48 -19.19 42.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.57 25.83 11.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 21.7 p -126.91 24.54 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.47 -115.79 2.6 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.18 144.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.357 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . 0.421 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -97.84 171.81 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . 0.421 ' H ' HG22 ' B' ' 651' ' ' THR . 55.6 p90 -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -74.07 -42.73 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . 0.492 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -67.14 -39.91 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -65.43 -47.27 76.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.45 -51.45 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.6 -41.03 72.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.492 HE21 ' HB1' ' B' ' 654' ' ' ALA . 33.0 mt-30 -56.17 -52.95 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.44 ' HE3' HD13 ' A' ' 68' ' ' LEU . 61.5 t-105 -52.13 -56.52 14.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.65 -40.12 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -64.58 -38.85 92.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . 0.53 ' HB2' ' HG3' ' A' ' 64' ' ' LYS . . . -73.4 -54.71 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.746 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.2 OUTLIER -53.8 -47.48 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.96 -34.0 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -73.07 -32.71 65.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' B' ' 663' ' ' MET . 9.4 mt -70.96 -54.15 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 668' ' ' ARG . 14.7 m -51.94 -44.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . 0.412 ' N ' HG23 ' B' ' 667' ' ' VAL . 15.3 ptt180 -70.7 -30.89 67.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.13 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -82.52 -56.36 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -61.56 -31.41 71.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -66.9 -49.73 64.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 8.4 tmm? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.96 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.74 -51.18 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.46 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.55 90.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -33.58 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.7 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.71 93.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD23 HD22 ' B' ' 629' ' ' LEU . 0.4 OUTLIER -65.35 -26.04 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.486 ' HE3' ' HG ' ' B' ' 629' ' ' LEU . 0.0 OUTLIER -58.76 -58.7 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.869 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.44 -25.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.56 -48.89 63.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.421 HG21 HD23 ' B' ' 626' ' ' LEU . 1.2 m -54.58 -54.2 44.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.699 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.8 mp -66.51 -48.44 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.09 -47.03 68.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -73.15 -48.85 31.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.1 -27.75 54.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.87 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.786 0.327 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -63.96 -54.01 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.18 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.11 -35.93 48.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.67 -33.52 75.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.63 68.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -66.2 -37.96 86.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.699 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 77.9 t80 -66.92 -54.84 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.55 -32.43 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.69 77.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.35 -38.49 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.12 59.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.05 -30.56 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.5 OUTLIER -66.95 -52.53 41.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.528 HG21 HD13 ' B' ' 666' ' ' LEU . 17.1 t -64.32 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -48.82 75.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 71' ' ' VAL . 92.3 m -58.12 -51.79 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.34 -35.65 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.17 -40.9 78.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.15 -32.62 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 67' ' ' THR . 61.5 t -70.96 -36.14 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.01 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 37.7 mt-30 -69.79 -36.6 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 -32.96 73.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.03 -39.32 34.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.39 -31.25 67.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.21 -62.22 3.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -52.13 -39.29 59.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.856 0.36 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.01 93.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -53.29 -50.39 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -68.18 -33.99 75.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.067 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.12 -25.09 45.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 93.7 m -69.75 -30.0 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.628 HD13 HD21 ' B' ' 666' ' ' LEU . 90.8 mt -67.46 -39.97 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.53 -37.18 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 12.4 t -76.2 -53.19 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.486 ' HG ' ' HE3' ' A' ' 25' ' ' MET . 12.7 tp -64.12 -52.29 59.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.89 -46.75 54.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.608 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -58.18 -36.89 73.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.072 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.49 -36.05 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.53 -45.23 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.31 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 631' ' ' ALA . 80.1 t -77.43 -31.2 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.16 -52.83 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -61.54 -29.7 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.73 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.61 -25.17 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.0 mt -100.7 27.57 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.69 -39.7 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.5 m -66.24 -26.62 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.22 57.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -52.61 145.74 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -91.38 -64.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 90.93 19.68 42.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.17 26.18 3.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 58.1 p -119.4 -30.93 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.85 -71.44 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.405 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.402 HD12 HG11 ' A' ' 71' ' ' VAL . 61.2 mt -99.8 144.12 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.04 172.9 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.57 -38.39 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -73.47 -41.16 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.63 -48.53 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -54.42 -47.13 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -54.83 -26.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.78 -44.72 9.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -57.95 -51.51 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -52.01 -59.11 4.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -57.32 -51.96 67.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.9 -31.29 39.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.41 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.456 ' O ' HG23 ' B' ' 667' ' ' VAL . 1.4 mmt -53.71 -30.26 42.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.33 -56.28 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -76.17 -32.89 59.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.628 HD21 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -65.2 -34.24 77.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.914 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 663' ' ' MET . 5.9 t -70.3 -52.59 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -68.12 -30.33 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -35.23 66.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 52.5 t80 -85.55 -53.14 5.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -52.07 -44.99 64.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -63.48 -46.89 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.0 tmm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -52.86 -51.75 59.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.07 86.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -35.67 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -36.68 57.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -58.28 -40.24 81.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.41 60.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -26.13 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.5 tpp -63.15 -58.45 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -55.66 -26.08 42.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -70.07 -32.25 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -70.06 -41.74 73.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.5 mp -73.02 -46.52 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -46.09 84.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -72.91 -41.84 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.85 69.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 -179.885 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.3 t80 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.73 -53.98 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -35.66 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HB1' ' HG3' ' B' ' 673' ' ' MET . . . -78.04 -33.26 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -70.95 -33.41 70.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.18 -31.13 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.98 -43.67 98.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.22 -54.53 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -61.36 -32.42 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.66 -33.04 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' B' ' 666' ' ' LEU . . . -79.41 -39.19 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.66 -31.27 24.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.96 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.705 ' HG2' ' HB2' ' B' ' 662' ' ' ALA . 0.0 OUTLIER -73.5 -52.62 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.409 HG13 ' CH2' ' B' ' 659' ' ' TRP . 32.9 t -54.28 -36.76 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.69 -44.66 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.0 m -60.09 -38.33 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.4 -28.4 56.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 HD13 ' B' ' 633' ' ' ILE . 10.6 mt -63.49 -37.55 87.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.88 -37.28 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 67' ' ' THR . 91.8 t -70.31 -34.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.56 -50.08 70.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 58.9 mt-30 -71.63 -34.03 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.27 74.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.3 -40.41 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.66 -32.89 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.76 -64.04 3.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -52.02 -35.21 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.77 -43.5 94.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.1 -45.99 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -65.65 -54.65 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.03 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.58 -25.03 33.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 78.2 m -62.1 -33.61 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 626' ' ' LEU . 4.1 mm? -64.23 -48.56 75.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . 0.644 ' HB2' HG21 ' B' ' 667' ' ' VAL . 5.0 tm0? -61.74 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -48.23 82.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.78 -51.57 54.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.21 -31.67 34.65 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.62 69.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.78 -37.98 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.552 HD13 HD21 ' A' ' 69' ' ' LEU . 51.0 mt -73.53 -33.86 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -65.12 -53.65 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.6 -40.39 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.24 -37.06 85.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.562 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.78 -31.89 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.92 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.2 -24.66 59.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.17 -24.63 34.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 15.4 mt -106.67 39.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . 0.562 ' NE2' HE21 ' B' ' 637' ' ' GLN . 24.7 mm-40 -66.75 -44.95 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.8 m -55.43 -26.27 40.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.34 -33.37 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -52.92 139.12 28.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -87.66 -58.85 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.19 -22.03 36.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -98.74 26.51 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 15.2 p -112.68 -30.31 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 168.08 -80.28 0.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.465 HD12 HG11 ' A' ' 71' ' ' VAL . 60.2 mt -85.4 143.72 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.7 174.32 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.43 -38.75 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . 0.414 ' OE1' ' HB2' ' B' ' 654' ' ' ALA . 0.0 OUTLIER -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . 0.495 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.69 -44.58 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -59.77 -48.43 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.27 -55.24 36.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -57.17 -54.02 51.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.495 HE21 ' HB1' ' B' ' 654' ' ' ALA . 41.0 mt-30 -56.11 -52.75 63.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.427 ' O ' ' HB3' ' B' ' 662' ' ' ALA . 54.2 t-105 -51.86 -56.23 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -50.98 -57.6 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.36 -26.87 61.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . 0.705 ' HB2' ' HG2' ' A' ' 64' ' ' LYS . . . -71.28 -54.51 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.49 ' O ' HG23 ' B' ' 667' ' ' VAL . 60.7 mmm -58.88 -44.2 91.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -68.03 -32.14 72.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -66.25 -53.91 31.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -67.29 -34.24 76.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' B' ' 627' ' ' GLN . 2.5 t -56.31 -47.22 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -70.37 -31.55 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.69 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 41.0 t80 -78.45 -55.18 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -51.99 -30.09 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.12 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . 0.454 ' HG3' ' HB1' ' A' ' 54' ' ' ALA . 40.6 mtp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.21 -48.59 72.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.76 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.63 -31.76 69.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -49.67 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.591 ' CB ' HD22 ' A' ' 69' ' ' LEU . . . -54.09 -42.23 69.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -25.66 72.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.85 55.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.588 ' HB2' HD11 ' B' ' 633' ' ' ILE . 44.1 tpp -64.39 -57.53 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -55.72 -25.86 42.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.488 ' CG2' HD12 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -64.47 -50.21 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.917 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.693 HG13 HD21 ' B' ' 626' ' ' LEU . 4.1 mp -66.99 -48.31 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -47.13 65.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -72.96 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -27.87 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.903 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.34 -54.09 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.41 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -64.4 -36.36 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.61 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.61 -35.5 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 89.7 t80 -69.03 -54.83 13.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.73 -32.38 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.03 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.85 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.41 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.13 79.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 3.9 tmtp? -61.85 -40.88 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.967 HG21 HD22 ' B' ' 666' ' ' LEU . 18.5 t -71.42 -46.01 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -50.86 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -54.88 -51.94 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.5 mt -51.92 -43.39 63.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.591 HD22 ' CB ' ' A' ' 22' ' ' ALA . 18.5 mt -58.99 -34.13 71.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -32.15 61.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.532 HG11 HD12 ' B' ' 650' ' ' ILE . 94.0 t -75.49 -51.13 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB2' ' NE1' ' B' ' 655' ' ' TRP . . . -51.62 -50.77 59.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.482 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 94.5 mt-30 -57.99 -33.45 68.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.48 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -71.58 -14.99 62.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -24.89 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.16 -88.22 0.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.571 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -52.08 -31.15 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.824 0.345 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.57 -50.14 54.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -57.18 13.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.947 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -52.92 -43.27 66.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.2 -26.71 29.47 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 60.9 m -59.57 -48.49 81.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.717 ' CD2' HD11 ' B' ' 666' ' ' LEU . 9.2 mp -57.74 -43.32 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -47.49 66.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.1 m -76.02 -30.97 58.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -51.43 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.16 94.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.26 -42.18 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.93 -38.97 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 25' ' ' MET . 65.2 mt -73.27 -45.02 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.11 75.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 631' ' ' ALA . 92.7 t -71.78 -31.27 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.97 -52.73 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -68.38 -30.88 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -55.23 -27.53 46.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.29 41.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.05 23.5 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -55.08 -40.01 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.7 m -70.25 -19.09 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.85 -13.33 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -51.49 151.02 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -105.72 -33.98 7.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.02 27.94 23.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.19 16.93 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 19.5 p -121.04 -31.28 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 164.37 -84.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.532 HD12 HG11 ' A' ' 71' ' ' VAL . 57.3 mt -64.52 139.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 111.024 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . 0.445 ' H ' ' HB3' ' B' ' 654' ' ' ALA . 0.3 OUTLIER -95.9 160.71 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -51.21 -45.01 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -75.19 -41.95 56.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' B' ' 651' ' ' THR . . . -57.03 -50.19 73.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . 0.47 ' NE1' ' HB2' ' A' ' 72' ' ' ALA . 29.0 t90 -54.2 -40.79 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -59.69 -55.96 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.36 -22.56 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.1 -52.68 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.452 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 58.1 t-105 -55.68 -52.2 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.59 -58.52 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -51.67 -45.34 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -62.56 -54.43 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.725 ' O ' HG23 ' B' ' 667' ' ' VAL . 36.3 tpp -51.57 -37.33 49.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.63 -56.04 27.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.91 -28.2 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.967 HD22 HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -65.97 -38.33 88.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.725 HG23 ' O ' ' B' ' 663' ' ' MET . 85.8 t -65.87 -51.32 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.839 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -65.55 -39.1 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.18 -25.24 46.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . 0.56 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 84.5 t80 -85.06 -54.96 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.94 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.8 ttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.992 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.811 0.339 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -64.05 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.95 83.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.97 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -39.55 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.444 ' HA ' HD11 ' A' ' 69' ' ' LEU . . . -54.12 -46.04 72.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.87 72.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.37 -31.23 62.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.516 ' HE2' HD22 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -63.89 -58.72 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.795 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.61 -29.22 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -67.21 -39.79 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.503 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.7 OUTLIER -65.17 -48.33 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.86 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.668 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.7 mp -67.18 -46.1 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.04 -45.63 93.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -73.1 -49.54 27.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.27 -27.74 66.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.71 -54.08 18.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.88 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.86 88.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -68.64 -40.31 80.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -66.37 -35.06 79.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.668 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 72.0 t80 -69.39 -54.86 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.96 -32.23 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.36 86.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.83 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.52 -31.54 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.33 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.4 OUTLIER -65.7 -53.09 45.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.001 HG21 HD22 ' B' ' 666' ' ' LEU . 24.0 t -56.88 -43.67 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.085 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -45.72 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.0 m -62.77 -52.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.08 -34.06 76.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 22' ' ' ALA . 31.9 tp -62.32 -40.13 95.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.41 -41.74 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 67' ' ' THR . 67.1 t -54.23 -44.53 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.45 ' O ' HD12 ' A' ' 76' ' ' LEU . . . -52.12 -52.38 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.582 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 82.1 mt-30 -59.68 -41.67 91.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -27.07 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.64 -48.54 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' B' ' 640' ' ' LEU . 3.3 mp -71.09 -32.66 69.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.37 -58.25 4.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -35.03 42.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.805 0.336 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -59.26 -40.73 96.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -62.01 -38.14 87.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.13 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.44 -34.78 42.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 28.4 m -55.97 -44.69 78.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 111.15 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.406 ' CD1' HG22 ' A' ' 28' ' ' THR . 6.6 mp -68.29 -47.06 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -53.55 -36.86 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 49.0 m -76.21 -52.96 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . 0.516 HD22 ' HE2' ' A' ' 25' ' ' MET . 1.1 tt -54.21 -48.63 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.51 -45.96 53.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.46 -33.58 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.77 -42.13 75.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.541 HD13 ' CZ2' ' B' ' 659' ' ' TRP . 2.7 mp -73.35 -33.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.05 76.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.3 p -77.69 -30.95 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -52.85 62.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -59.66 -29.42 68.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.51 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.63 -20.63 39.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . 0.506 ' HB2' HD21 ' A' ' 76' ' ' LEU . 18.9 mt -106.03 28.66 7.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -56.89 -25.6 57.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.34 20.22 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -119.71 -31.38 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -51.95 143.94 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -93.89 -55.78 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.67 -19.96 47.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.26 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.4 p -117.71 -29.92 5.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 165.88 -96.35 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.478 HD12 HG11 ' A' ' 71' ' ' VAL . 61.8 mt -70.66 142.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.75 164.71 14.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -59.63 -41.18 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.37 -42.88 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.29 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -66.36 -51.35 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.31 -29.72 24.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.83 -23.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -76.31 -52.87 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.541 ' CZ2' HD13 ' B' ' 633' ' ' ILE . 28.1 t-105 -55.97 -46.63 78.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -60.99 -57.97 10.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -54.28 -38.86 66.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -67.47 -54.51 19.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.754 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.9 -39.82 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.84 -55.83 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -70.2 -28.57 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 1.001 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -63.61 -39.08 93.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.754 HG23 ' O ' ' B' ' 663' ' ' MET . 22.1 t -73.59 -51.26 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -57.73 -32.14 67.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.35 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -73.81 -32.31 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -69.27 -22.42 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 51.6 ttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.984 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.727 0.298 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HB3' ' HB1' ' A' ' 79' ' ' ALA . 5.3 t80 -77.81 -46.88 20.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.43 -38.92 56.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.11 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -47.03 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 69' ' ' LEU . . . -56.03 -47.18 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.79 -26.91 26.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -30.01 30.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -58.92 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -23.86 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -72.86 -49.49 29.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.9 m -55.41 -51.79 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.601 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.2 mp -65.38 -47.42 87.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.91 -46.1 91.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -73.0 -53.11 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.94 -27.72 53.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.884 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -70.79 -54.03 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -39.75 57.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -66.46 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.54 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -67.43 -35.57 79.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.601 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 83.0 t80 -69.45 -54.89 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.53 -35.01 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.94 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.16 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.21 -31.62 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.07 86.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.543 ' HD2' HD11 ' A' ' 68' ' ' LEU . 5.7 tmtp? -54.47 -52.59 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.991 HG21 HD22 ' B' ' 666' ' ' LEU . 14.0 t -63.14 -52.69 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -31.89 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 71' ' ' VAL . 53.3 m -84.71 -27.68 26.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.543 HD11 ' HD2' ' A' ' 64' ' ' LYS . 33.4 mt -73.73 -36.9 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 22' ' ' ALA . 3.0 mm? -55.36 -55.08 35.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.99 -43.32 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 67' ' ' THR . 60.6 t -65.84 -32.97 60.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.28 -50.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.609 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 37.2 mt-30 -71.93 -39.5 69.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.65 63.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.66 -39.63 94.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.3 mt -70.88 -25.93 63.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.37 -74.57 1.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -45.18 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.625 ' HB1' ' HB3' ' A' ' 18' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.794 0.33 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.56 -49.75 59.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.5 -47.52 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.383 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 623' ' ' ALA . . . . . 0.659 ' HA ' HD23 ' B' ' 626' ' ' LEU . . . -52.48 -33.23 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.21 73.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 98.4 m -66.78 -29.08 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 626' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' B' ' 623' ' ' ALA . 3.9 mm? -59.91 -56.91 15.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.12 -41.56 81.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 36.0 m -59.47 -46.39 88.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.29 -43.7 55.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -45.14 55.9 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -54.39 -37.93 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.011 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -55.77 -35.84 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 633' ' ' ILE . . . . . 0.425 HD12 ' CZ2' ' B' ' 659' ' ' TRP . 87.7 mt -73.45 -36.19 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -64.33 -53.29 51.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.21 -40.4 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.19 -36.81 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 637' ' ' GLN . . . . . 0.665 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.63 -31.08 63.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.49 61.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.53 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 34.01 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 641' ' ' GLN . . . . . 0.665 ' NE2' HE21 ' B' ' 637' ' ' GLN . 8.1 mm-40 -65.25 -45.34 84.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.3 p -55.7 -25.99 42.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.21 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -52.34 149.93 5.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -98.91 -63.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.24 -19.47 54.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -86.66 -26.27 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.6 p -67.98 -30.59 69.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.02 -114.89 0.55 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 650' ' ' ILE . . . . . 0.5 ' HB ' HG11 ' A' ' 71' ' ' VAL . 54.9 mt -53.77 142.86 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.4 167.48 11.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -61.45 -41.12 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.58 -42.82 58.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 654' ' ' ALA . . . . . 0.626 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -64.48 -41.79 96.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.5 t90 -62.69 -41.43 99.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.88 -55.84 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.14 -39.6 75.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 658' ' ' GLN . . . . . 0.626 HE21 ' HB1' ' B' ' 654' ' ' ALA . 37.7 mt-30 -56.05 -52.84 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 659' ' ' TRP . . . . . 0.485 ' HZ3' HD22 ' A' ' 69' ' ' LEU . 31.6 t-105 -60.9 -47.82 84.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -57.72 -51.17 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.53 25.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 663' ' ' MET . . . . . 0.74 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -56.66 -42.24 78.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.15 -56.05 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -29.82 66.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 666' ' ' LEU . . . . . 0.991 HD22 HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -63.57 -42.1 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.874 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 667' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 663' ' ' MET . 40.2 t -66.37 -51.21 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.89 -35.07 77.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.13 -25.18 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -85.52 -57.8 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -58.83 -23.68 60.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.18 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.2 ttp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.759 0.314 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -85.19 127.55 34.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.14 102.48 14.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 mt -97.77 108.09 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 63.31 84.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -130.69 -56.72 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -132.94 28.87 4.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 pt -98.43 152.47 37.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.34 0.112 0 C-N-CA 122.668 2.246 . . . . 0.0 112.337 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' H ' HG13 ' A' ' 12' ' ' VAL . 1.1 tt0 179.63 122.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 56.2 25.76 9.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.518 HG13 ' H ' ' A' ' 10' ' ' GLN . 27.9 m -90.15 -29.6 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.17 -44.05 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.049 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 m -54.76 -33.67 61.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -73.11 -25.53 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.19 92.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.804 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.84 -27.75 57.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.667 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 11.3 t80 -52.01 -51.75 55.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.82 -49.78 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.86 61.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -45.74 41.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -45.47 72.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.08 -26.68 73.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.445 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -25.43 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.943 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.52 ' HE2' HD12 ' B' ' 629' ' ' LEU . 42.5 tpp -65.75 -57.55 7.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -27.0 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.74 -38.51 91.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -65.06 -41.92 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.7 mp -73.13 -48.56 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -46.76 66.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.45 -46.7 89.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -56.72 -35.1 68.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -61.09 -38.28 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.42 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.66 -26.42 56.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 21.8 mtt -72.28 -52.74 14.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.5 p -52.17 -39.61 60.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.17 -26.88 60.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -69.21 -5.4 22.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' O ' ' C ' ' A' ' 42' ' ' PHE . . . -63.91 -9.51 15.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.542 ' C ' ' O ' ' A' ' 41' ' ' ALA . 38.0 m-85 -25.38 -71.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -116.93 -27.96 6.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 63.23 96.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.11 -101.18 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -168.42 -46.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -58.45 128.33 36.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 p -178.61 85.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.13 -49.89 9.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.8 -40.17 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -75.98 -34.33 59.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.75 -54.06 49.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -47.98 63.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.54 87.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -68.86 -38.86 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.27 -30.88 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -64.6 -39.29 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.13 -54.82 24.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.89 -33.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.21 -34.79 42.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.84 -34.61 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.53 -31.42 66.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 5.2 tmtp? -74.6 -40.53 61.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.867 HG21 HD22 ' B' ' 666' ' ' LEU . 18.9 t -71.46 -44.08 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -49.5 70.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -60.29 -33.34 72.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.427 ' HA ' HG22 ' A' ' 71' ' ' VAL . 39.7 mt -76.22 -26.6 56.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.725 HD21 HD13 ' B' ' 633' ' ' ILE . 13.7 mt -72.97 -30.16 63.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -77.03 -47.76 19.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.837 HG21 HD12 ' B' ' 650' ' ' ILE . 32.1 m -62.54 -34.46 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.22 80.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 68.0 mt-30 -71.72 -34.06 69.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.0 -35.56 72.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -81.15 -39.21 25.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.644 HD13 HD12 ' B' ' 640' ' ' LEU . 59.4 mt -75.88 -29.6 58.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.95 -75.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -51.96 -30.72 25.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.667 ' HB1' ' CD2' ' A' ' 18' ' ' PHE . . . -55.14 -53.76 51.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -176.05 162.2 2.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -129.17 87.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 t -147.42 171.02 16.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 111.137 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -152.17 165.3 35.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.3 t -143.86 78.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.158 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.05 68.62 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.74 -32.91 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.92 167.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -175.26 174.52 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.71 -28.51 26.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.23 -26.67 67.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.01 -26.18 68.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.66 -55.25 3.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 94' ' ' TYR . 0.3 OUTLIER 62.76 -179.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.403 ' H ' HG22 ' A' ' 93' ' ' THR . 54.7 p90 -165.05 153.96 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.2 p -137.71 135.52 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.47 -140.07 8.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.528 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 2.2 mtp -139.58 73.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 33.8 p -116.03 -24.79 7.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.8 10.82 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 28.7 mm -78.58 -69.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -161.74 49.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -122.74 70.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -60.52 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -130.34 160.55 65.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.728 0.775 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 78.73 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.661 2.241 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -80.66 -62.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.04 -42.39 10.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' B' ' 680' ' ' ASN . 4.5 tp -55.63 135.82 50.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 111.77 -149.15 18.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.59 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.39 172.29 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -173.3 51.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 138.97 -138.84 9.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -136.92 72.84 1.43 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -38.49 26.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.51 -31.02 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -72.4 -44.31 42.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.85 67.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.712 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -67.01 -54.79 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.57 -24.42 39.2 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 96.9 m -60.13 -34.6 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.326 . . . . 0.0 111.107 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.25 -45.23 85.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -52.76 59.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 4.9 t -63.12 -34.12 76.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.52 HD12 ' HE2' ' A' ' 25' ' ' MET . 0.1 OUTLIER -63.56 -47.35 81.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.43 91.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.29 -32.05 46.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -66.55 -40.43 89.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.725 HD13 HD21 ' A' ' 69' ' ' LEU . 68.3 mt -73.36 -32.6 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.074 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.78 -39.62 80.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 13.3 p -77.46 -31.05 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.44 -52.9 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -60.21 -29.66 68.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.23 -24.68 67.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.62 37.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.644 HD12 HD13 ' A' ' 76' ' ' LEU . 7.7 mt -109.0 29.48 7.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.53 -45.75 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 25.0 p -55.37 -26.45 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.95 -27.28 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.203 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -54.77 146.33 17.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -93.46 -69.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.29 -19.98 46.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.68 26.27 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.2 p -118.8 -29.43 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.29 -91.98 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.837 HD12 HG21 ' A' ' 71' ' ' VAL . 58.1 mt -81.4 143.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.39 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.46 172.98 7.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -64.38 -39.26 93.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -73.94 -42.6 60.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . 0.672 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -67.57 -41.79 83.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -59.39 -56.03 27.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.09 -47.71 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.672 HE21 ' HB1' ' B' ' 654' ' ' ALA . 60.0 mt-30 -56.14 -50.01 72.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -51.97 -59.28 4.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -52.95 -47.45 68.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -62.23 -27.41 68.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.98 -54.44 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.735 ' O ' HG23 ' B' ' 667' ' ' VAL . 80.7 mmm -57.14 -39.54 75.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.07 -56.09 23.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -70.71 -28.37 64.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.867 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.32 -37.64 88.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 663' ' ' MET . 42.1 t -73.47 -51.24 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -52.36 -33.22 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.14 -28.55 58.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.712 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 41.7 t80 -85.7 -36.38 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -72.28 -19.07 61.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -48.22 67.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.044 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.27 -32.36 73.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.1 p -82.8 0.6 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 32.0 t -56.58 -24.98 51.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -11.88 60.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.164 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -51.3 -47.24 62.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -82.06 -17.01 48.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -58.54 -19.95 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . 0.559 ' HA ' HD23 ' B' ' 613' ' ' LEU . 27.4 t30 -57.22 -67.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 3.5 m -56.87 -23.38 44.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 6.8 ttm -50.2 -32.05 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.15 -31.54 31.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.9 ttt -72.73 148.39 44.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 6.7 ttp -94.18 -25.87 16.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.8 -45.64 63.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.172 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -74.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.02 89.03 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 28.4 p -114.93 -49.6 2.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -22.85 20.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.44 -60.85 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.78 -24.7 67.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.89 -26.49 27.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 164.21 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.08 26.66 0.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.988 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -98.41 -155.49 29.39 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.548 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -167.04 143.7 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.68 113.25 18.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.12 165.08 11.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 58.64 37.98 25.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -114.13 -44.64 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -150.98 47.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -96.74 152.47 38.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.72 81.82 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.419 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -108.12 -43.14 4.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -101.55 18.97 18.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.73 -26.83 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.7 68.9 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.08 -33.04 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -66.15 -34.76 78.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -113.02 89.0 2.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.2 -26.03 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -55.6 -48.82 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . . . -59.83 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.78 67.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -40.12 71.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -59.28 -50.5 73.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.96 -25.73 75.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -32.96 53.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 45.3 tpp -55.58 -58.69 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -30.29 59.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -75.64 -29.12 59.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 m -74.09 -33.03 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.634 HD12 ' HE1' ' A' ' 58' ' ' PHE . 39.4 mm -61.0 -55.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.85 -39.07 96.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -58.53 -36.84 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 -45.84 58.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.11 -40.27 67.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -52.22 -34.95 48.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.93 91.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.26 -38.41 68.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.8 mtt -64.67 -30.99 72.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.2 t -67.54 -57.69 6.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.13 -25.81 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -85.16 -7.01 59.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.81 -23.08 67.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -51.76 136.34 27.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 51.96 55.35 9.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -63.73 116.1 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.11 -32.4 0.22 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -106.81 -175.47 2.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.839 0.352 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 p -141.83 155.34 45.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -112.47 127.52 56.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.12 -47.76 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.24 35.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.59 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.15 -54.06 30.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -45.72 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.73 -38.65 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -63.68 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.25 -31.01 65.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -63.6 -41.74 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.634 ' HE1' HD12 ' A' ' 29' ' ' ILE . 3.6 t80 -62.81 -54.7 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.45 -32.72 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -35.65 81.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.8 40.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -37.16 48.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.5 -30.77 63.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -71.41 -48.23 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.964 HG21 HD11 ' B' ' 666' ' ' LEU . 16.7 t -64.67 -33.64 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -46.33 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -65.75 -31.71 72.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' B' ' 658' ' ' GLN . 21.2 mt -74.11 -26.41 60.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 22' ' ' ALA . 19.1 mt -70.74 -30.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.6 -53.05 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.033 HG21 HD12 ' B' ' 650' ' ' ILE . 27.3 m -62.2 -32.82 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.11 -49.21 73.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.659 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 46.6 mt-30 -71.7 -33.92 69.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.65 -34.76 70.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -81.09 -39.0 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.618 HD13 HD12 ' B' ' 640' ' ' LEU . 69.4 mt -76.57 -31.15 57.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.87 -69.18 2.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.94 -37.12 51.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.24 -54.65 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -178.19 148.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -102.78 93.29 1.03 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.7 m -149.97 132.89 16.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.368 . . . . 0.0 111.072 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -137.4 169.0 18.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 84' ' ' VAL . 2.6 p -64.58 91.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.1 25.21 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.01 -24.91 15.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 63.11 171.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.79 178.8 5.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.16 -26.35 39.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.37 -26.03 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.82 -34.16 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.9 m -145.65 92.22 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.52 176.32 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -115.78 -29.2 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.021 0.439 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.8 m 54.14 82.85 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.208 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.69 73.16 0.17 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.839 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 2.8 mtp -112.89 73.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 5.5 p -116.06 -24.8 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.78 10.83 22.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 28.6 mm -78.57 -69.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 21.0 ptp -161.77 49.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.79 95.49 4.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.05 -61.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.05 160.55 51.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -40.04 5.78 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.775 2.316 . . . . 0.0 112.287 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -53.85 -31.17 48.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 3.1 mmt -78.19 -44.53 25.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' B' ' 676' ' ' THR . 51.2 tp -65.46 -73.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -159.42 179.28 35.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.545 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -135.79 166.12 24.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . 0.456 ' HB1' ' HG2' ' B' ' 619' ' ' MET . . . -105.39 -75.59 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 85.81 31.19 21.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.22 -72.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.827 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . 0.456 ' HG2' ' HB1' ' B' ' 616' ' ' ALA . 0.5 OUTLIER -64.31 -26.08 68.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' B' ' 616' ' ' ALA . . . -52.56 -30.99 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.03 -32.11 41.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.412 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -55.89 -56.32 22.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' B' ' 670' ' ' TYR . . . -53.69 -35.74 61.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.88 -25.81 31.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.3 m -64.67 -40.83 96.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.415 HD11 HD13 ' A' ' 29' ' ' ILE . 3.6 mm? -66.19 -38.14 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.59 -46.6 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.0 m -76.14 -41.91 48.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.37 -52.83 60.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.67 -35.27 85.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.449 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.91 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.94 -39.06 84.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 5.9 mt -73.72 -35.78 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.48 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.34 -33.89 39.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -64.79 -37.38 87.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.478 HE21 ' N ' ' B' ' 638' ' ' ALA . 0.0 OUTLIER -66.6 -42.21 87.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . 0.478 ' N ' HE21 ' B' ' 637' ' ' GLN . . . -63.75 -29.41 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -76.07 -24.6 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 76' ' ' LEU . 10.0 mt -114.28 38.96 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -63.46 -52.85 59.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 60.0 p -55.6 -26.08 41.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.23 -31.32 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -52.52 143.9 14.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -90.22 -68.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.51 -26.17 24.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -96.56 26.16 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 47.0 p -119.58 -30.93 4.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.19 -110.02 0.33 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 1.033 HD12 HG21 ' A' ' 71' ' ' VAL . 57.5 mt -63.7 143.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 111.191 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.17 171.24 8.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.22 -38.81 92.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -73.63 -42.65 61.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.41 -48.27 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -54.3 -49.11 70.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -51.64 -44.67 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.96 65.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.524 ' HB3' HD21 ' A' ' 68' ' ' LEU . 42.5 mt-30 -56.77 -51.73 67.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.437 ' HA ' HD13 ' A' ' 68' ' ' LEU . 51.0 t-105 -58.47 -54.96 41.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -51.62 -52.5 47.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.8 -47.39 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.828 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -51.28 -52.49 44.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -57.97 -33.27 68.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -70.81 -34.87 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.964 HD11 HG21 ' A' ' 65' ' ' VAL . 5.7 mt -71.19 -55.5 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.43 HG23 ' N ' ' B' ' 668' ' ' ARG . 15.4 m -52.92 -44.57 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . 0.43 ' N ' HG23 ' B' ' 667' ' ' VAL . 6.6 ptt180 -71.08 -32.3 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.98 68.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' B' ' 623' ' ' ALA . 39.2 t80 -85.56 -44.73 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -68.01 -25.64 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.01 -49.62 49.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -52.68 -39.57 62.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.3 p -82.69 -32.71 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 29.6 t -64.32 -35.75 81.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.495 ' HA ' HD21 ' B' ' 613' ' ' LEU . 1.4 m -70.22 -14.93 62.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -53.65 -27.82 29.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.41 -21.19 59.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.7 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -51.7 -63.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.5 m -74.09 -30.33 62.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -31.03 63.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -55.83 -68.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 57.16 90.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -38.34 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.865 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -55.17 -53.12 59.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -66.12 -26.99 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -76.02 71.82 2.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 4.8 t -116.82 -30.54 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.28 -22.66 20.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.39 -60.92 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.86 -24.72 67.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.74 -25.35 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 157.35 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -85.47 109.05 18.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 99.35 -111.49 4.23 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.59 81.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.869 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.24 -175.6 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.02 153.04 42.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.487 ' HB3' HD11 ' A' ' 8' ' ' ILE . 23.6 m-20 58.91 31.25 21.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.71 -34.03 11.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -73.57 -35.72 65.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.487 HD11 ' HB3' ' A' ' 5' ' ' ASP . 19.6 pt -64.48 152.47 89.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 111.141 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 78.72 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.305 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -105.47 -48.81 3.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.25 24.52 9.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.8 m -83.45 -25.28 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -162.47 39.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.41 -56.0 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -49.18 76.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.2 p -172.77 127.78 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.95 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.056 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -61.04 -50.62 72.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.11 -38.41 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.78 -39.36 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -39.77 79.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -56.5 -50.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.22 -27.53 73.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -33.3 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ttm -60.99 -58.6 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -52.02 -36.61 50.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.23 -45.36 93.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -64.17 -29.77 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.465 HG23 ' CE1' ' A' ' 58' ' ' PHE . 50.9 mm -67.15 -48.84 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.82 -32.09 81.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -39.78 66.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 110.909 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.29 -40.18 45.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.64 -52.65 64.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -58.69 -33.93 70.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.49 -39.71 70.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB1' ' CE ' ' B' ' 673' ' ' MET . . . -55.54 -64.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.7 ptp -61.64 -26.92 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -62.49 -62.07 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.77 -39.92 76.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -55.97 -25.12 42.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.16 -56.89 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 49.6 60.76 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 t60 63.42 47.5 3.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -140.68 -70.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.95 -87.3 0.18 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -176.86 122.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.59 112.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.2 t -174.42 132.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.99 -57.3 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.64 27.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -62.49 -34.42 76.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -56.68 -54.17 49.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.35 -40.91 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.59 -29.65 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -74.84 -33.39 62.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.05 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -63.23 -43.6 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.465 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.4 t80 -61.34 -54.55 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.13 -32.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.94 -34.51 75.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -36.17 39.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -53.08 -31.53 42.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.42 70.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.1 tmtp? -74.53 -52.62 11.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.7 p -66.67 -31.51 53.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -70.75 -53.64 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.3 m -56.0 -40.33 73.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.441 HD11 ' HD2' ' A' ' 64' ' ' LYS . 34.2 mt -64.03 -35.55 81.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.525 HD22 ' HB2' ' A' ' 22' ' ' ALA . 2.9 mt -61.84 -46.26 90.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -65.91 -38.87 89.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 67' ' ' THR . 59.0 t -66.27 -33.02 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.94 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.485 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 36.8 mt-30 -71.51 -34.31 69.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.2 -33.37 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.17 -38.35 56.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.17 -32.87 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.06 -55.5 4.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.03 -50.71 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.485 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.83 -70.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.06 152.64 39.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.31 84.19 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.5 t -154.32 171.25 19.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.687 0.279 . . . . 0.0 111.208 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -134.71 165.86 24.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.9 t -143.83 78.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.05 68.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -106.96 -32.18 8.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.88 174.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -124.82 171.05 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -88.68 -41.43 12.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.25 -27.76 62.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.41 92.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -82.43 98.18 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.62 168.23 24.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -128.04 141.0 51.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.08 159.35 18.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.76 97.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 119.361 -0.352 . . . . 0.0 110.909 -179.898 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.917 0.389 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.62 72.12 10.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 42.5 p -116.06 -24.37 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.81 10.86 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.68 -69.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 9.7 ptp -161.89 49.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -122.92 63.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -56.79 -42.56 79.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -130.41 160.48 65.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -18.46 37.39 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -56.27 -33.35 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 3.5 mtt -72.24 -48.53 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.925 HD13 ' HB1' ' B' ' 679' ' ' ALA . 0.6 OUTLIER -69.88 106.67 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 101.12 166.16 27.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.21 178.72 7.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.728 0.299 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -156.46 172.6 18.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 163.02 -156.3 27.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -116.25 30.72 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.45 -27.88 37.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -60.56 -31.05 70.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.06 90.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -37.46 83.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.84 0.352 . . . . 0.0 110.864 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.43 72.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.99 -36.22 66.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.5 m -55.8 -44.85 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.88 -40.02 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -52.61 -51.17 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 31.3 t -76.06 -30.45 58.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -52.65 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.06 -37.64 94.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.702 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.38 -36.44 61.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -60.09 -34.83 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.23 -38.61 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 631' ' ' ALA . 87.2 t -75.21 -31.58 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.87 -52.07 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -60.67 -29.73 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.48 -26.26 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.77 -25.41 44.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.35 27.11 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -53.13 -43.21 66.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.1 p -62.09 -26.52 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.31 -32.56 58.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.66 135.52 34.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.48 -69.77 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.99 -20.1 46.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -96.01 26.06 4.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 12.1 p -119.63 -30.94 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.43 -98.38 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.33 143.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.47 176.28 5.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -67.14 -38.49 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -73.52 -40.23 64.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -71.61 -44.01 65.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -59.69 -42.23 92.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -58.65 -55.95 28.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.73 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.2 -52.52 64.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.403 ' HA ' HD13 ' A' ' 68' ' ' LEU . 65.7 t-105 -52.01 -52.87 47.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -51.87 -51.84 53.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -54.2 -46.15 72.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -57.02 -54.17 49.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.81 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -52.69 -54.49 32.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -33.11 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -71.0 -47.67 57.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' B' ' 663' ' ' MET . 4.4 mt -58.46 -42.56 87.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 663' ' ' MET . 21.5 t -62.12 -44.42 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -70.31 -34.53 72.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.83 68.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -72.59 -57.63 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.98 -18.25 56.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.4 -48.12 65.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . 0.476 ' CE ' ' HB1' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -55.15 -31.73 61.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -23.91 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 13.5 t -56.88 -24.13 49.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.751 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -17.19 57.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -55.52 -25.9 39.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.93 -30.03 22.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.925 ' HB1' HD13 ' B' ' 613' ' ' LEU . . . -51.72 -30.03 20.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -55.21 37.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.8 p -74.1 -27.69 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 11.8 mtm -52.09 -30.02 24.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -55.94 -57.53 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 63.2 mtp -53.23 115.42 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 3.7 mtt -73.87 -31.19 63.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -57.69 -39.21 76.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -30.33 52.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.03 111.07 21.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.3 p -129.56 -73.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -59.5 -24.93 64.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.08 -60.89 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.19 -24.74 67.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.4 -24.77 25.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.11 179.48 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -93.23 170.79 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -162.0 -85.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.481 -179.882 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.774 0.321 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -177.04 111.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.818 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.19 86.35 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -97.15 -41.99 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -129.64 38.84 3.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.14 -38.21 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -129.25 65.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -120.56 152.42 55.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 76.6 1.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -75.88 169.43 18.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.25 18.33 10.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 10' ' ' GLN . 48.8 t -112.74 -53.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.38 27.0 6.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.007 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 -36.42 55.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -45.43 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 p -167.78 103.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.91 -26.76 14.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' HB3' ' HB1' ' A' ' 79' ' ' ALA . 9.8 t80 -64.62 -51.71 61.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -38.47 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.79 -44.02 51.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.487 ' CB ' HD22 ' A' ' 69' ' ' LEU . . . -58.64 -45.03 90.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.37 70.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.476 HD23 HD22 ' B' ' 629' ' ' LEU . 0.9 OUTLIER -78.08 -25.89 47.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.844 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.413 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -59.86 -58.69 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -56.96 -26.1 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -70.12 -31.48 69.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.415 ' CG2' HD23 ' B' ' 626' ' ' LEU . 4.0 m -68.41 -42.79 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.497 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.09 -49.52 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.76 65.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -72.93 -34.03 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.37 73.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -60.58 -46.14 91.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -33.93 40.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.92 -40.02 91.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.09 -64.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.067 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 20.2 ptp -58.33 -27.88 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -63.21 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.61 -25.01 64.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -85.23 -6.99 59.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.03 -23.1 67.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -51.79 136.33 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 52.05 51.79 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -64.94 126.83 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.956 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 145.56 40.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.14 123.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.5 p -76.75 178.41 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.1 130.39 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.23 -41.16 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.96 75.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -59.52 -34.41 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.45 -54.01 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.41 -49.71 61.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.07 87.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.02 65.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -64.15 -40.52 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -64.04 -54.71 29.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.5 -33.01 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.27 85.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.57 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.8 -35.66 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.49 -35.65 68.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -74.5 -47.99 29.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.77 HG21 HD22 ' B' ' 666' ' ' LEU . 23.3 t -56.79 -37.21 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -43.83 64.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.2 m -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' B' ' 659' ' ' TRP . 6.3 mt -76.27 -26.43 55.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD22 ' CB ' ' A' ' 22' ' ' ALA . 6.7 mt -72.18 -29.88 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.2 -49.02 14.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.84 HG21 HD12 ' B' ' 650' ' ' ILE . 34.6 m -61.53 -32.94 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.1 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.774 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 38.8 mt-30 -71.35 -33.9 70.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.29 -37.24 71.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' N ' HD22 ' A' ' 75' ' ' ASN . 1.5 m-80 -81.14 -37.82 28.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.661 HD13 HD12 ' B' ' 640' ' ' LEU . 51.4 mt -76.6 -29.4 56.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.48 1.23 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.533 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -35.2 45.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.7 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -53.93 -27.58 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.774 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -107.08 -64.69 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.73 146.81 4.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.2 m 64.39 108.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 111.142 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -84.55 166.21 17.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 63.7 t -72.78 87.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.49 70.58 8.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.88 -34.11 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.65 162.15 23.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -175.59 -35.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.91 -27.28 69.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.72 -30.2 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.44 -25.32 39.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.1 m -52.67 169.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.3 162.24 20.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -96.37 136.99 36.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.8 p -138.41 175.44 9.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.238 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 177.62 -36.75 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 119.442 -0.313 . . . . 0.0 110.956 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.26 72.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 60.5 p -116.13 -24.25 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.01 10.94 22.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 28.8 mm -78.67 -69.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 5.5 ptm -161.84 49.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -122.86 165.52 16.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -114.9 -65.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -128.72 93.65 36.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -18.77 37.23 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.754 2.303 . . . . 0.0 112.373 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.4 -35.99 65.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 1.4 mtt -89.23 -27.9 20.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.706 HD21 ' CB ' ' B' ' 679' ' ' ALA . 5.9 tt -117.7 103.06 9.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 140.51 91.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.56 -40.35 4.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . 0.477 ' HB1' ' CG ' ' B' ' 619' ' ' MET . . . -132.82 -75.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 108.36 -54.26 0.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -147.38 26.26 1.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . 0.477 ' CG ' ' HB1' ' B' ' 616' ' ' ALA . 5.0 mmt -82.29 -25.53 33.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.44 -30.99 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.145 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.44 -33.73 47.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -41.05 67.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.575 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.8 -33.15 34.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.05 -24.54 35.56 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 62.6 m -56.18 -39.18 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.789 HD13 HD11 ' B' ' 666' ' ' LEU . 26.4 mt -60.8 -36.53 79.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . 0.422 ' CG ' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -67.05 -52.53 41.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -53.02 55.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.486 ' O ' HD12 ' B' ' 629' ' ' LEU . 10.2 tp -60.63 -37.85 82.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.17 57.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.3 -34.13 68.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -55.75 -42.28 75.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.44 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 72.4 mt -73.32 -32.52 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.45 -53.09 39.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.2 -31.21 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -44.76 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.412 HE21 ' N ' ' B' ' 638' ' ' ALA . 0.0 OUTLIER -60.78 -39.43 88.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . 0.412 ' N ' HE21 ' B' ' 637' ' ' GLN . . . -68.08 -24.56 65.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.065 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.63 45.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.661 HD12 HD13 ' A' ' 76' ' ' LEU . 9.1 mt -117.78 34.92 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -54.16 -52.75 60.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -26.01 43.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' B' ' 640' ' ' LEU . . . -71.02 -29.18 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -62.73 140.11 58.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -91.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 109.91 -19.7 27.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.89 26.09 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 17.6 p -119.8 -31.03 4.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 166.4 -115.12 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 71' ' ' VAL . 58.0 mt -54.12 143.15 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 171.45 8.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.09 -39.44 94.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -73.91 -41.41 62.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . 0.526 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.03 -44.3 76.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 54.1 t90 -59.99 -38.36 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -56.43 -55.97 27.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.15 -42.69 75.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.526 HE21 ' HB1' ' B' ' 654' ' ' ALA . 24.9 mt-30 -56.07 -49.41 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.949 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.615 ' HA ' HD13 ' A' ' 68' ' ' LEU . 73.9 t-105 -59.49 -59.4 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -51.75 -49.71 62.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.22 -34.51 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.69 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.748 ' O ' HG23 ' B' ' 667' ' ' VAL . 83.9 mmm -56.88 -43.45 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.15 -55.96 17.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.81 -28.34 65.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.789 HD11 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -66.41 -37.48 85.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 663' ' ' MET . 40.5 t -71.72 -51.15 34.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -52.75 -34.16 51.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.29 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.575 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 20.0 t80 -85.69 -51.97 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -55.53 -25.99 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.03 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -70.31 -32.07 69.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.71 0.41 43.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 75.6 m -58.34 -22.52 53.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -19.01 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -51.9 -30.29 23.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -53.54 -28.3 30.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.706 ' CB ' HD21 ' B' ' 613' ' ' LEU . . . -51.71 -29.97 20.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -63.68 -54.53 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -24.95 59.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.1 mtm -52.02 -30.03 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.83 -29.97 21.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 7.5 mtt -58.64 128.31 36.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -26.16 61.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.87 -64.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -56.47 -28.84 60.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.07 69.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 12.0 t -100.91 -32.63 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.44 -23.08 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.6 -60.84 2.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.48 -24.65 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -87.22 -25.25 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -58.06 139.52 54.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 60.39 93.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 149.08 175.44 21.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.866 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.768 0.318 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.42 111.39 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.39 129.44 20.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mp -136.81 34.22 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 55.61 31.22 16.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.73 -60.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -132.33 51.74 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -94.5 152.54 40.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 111.218 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 82.82 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.483 ' HG2' HD12 ' A' ' 11' ' ' LEU . 1.3 tt0 -110.68 154.21 24.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD12 ' HG2' ' A' ' 10' ' ' GLN . 0.7 OUTLIER 56.88 51.98 10.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.96 -29.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.03 38.65 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 p -73.01 -35.48 66.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -61.74 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.36 107.89 18.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.22 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -69.37 -51.78 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.66 69.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.37 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.7 -36.68 57.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.08 -48.35 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.16 -38.29 63.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -26.07 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.456 ' CE ' HD12 ' B' ' 629' ' ' LEU . 10.0 ttm -66.96 -58.79 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.05 -28.86 26.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.62 -33.56 76.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -68.89 -40.18 79.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.23 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.16 -50.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.58 -45.92 66.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.43 71.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.86 -52.41 65.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -52.03 -39.09 59.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.46 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.78 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.6 ptp -63.81 -38.43 91.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 t -67.77 -52.01 42.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.92 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.08 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -85.14 -7.13 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.39 -29.46 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -51.91 136.33 28.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.8 m80 51.91 30.28 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -143.37 -74.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.42 47.96 5.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.435 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 58.55 67.56 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.328 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.0 p -179.36 100.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.1 143.27 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.09 -46.12 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.84 -50.6 71.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -57.08 -34.49 68.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.71 -54.01 45.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -51.75 52.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.15 -38.64 91.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -63.96 -36.3 83.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.78 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -66.78 -34.94 78.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -69.58 -54.8 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.66 -34.14 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.056 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.67 98.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.84 40.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.446 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -52.79 -31.44 38.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.06 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -74.47 -52.67 11.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.6 p -63.65 -31.56 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.98 -53.46 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.1 m -55.82 -46.4 78.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.508 HD11 ' HD2' ' A' ' 64' ' ' LYS . 41.3 mt -58.47 -35.4 72.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.82 -45.84 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.003 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.98 -36.54 83.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 67' ' ' THR . 30.9 t -70.11 -33.08 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.06 76.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.528 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 38.0 mt-30 -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -34.51 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.48 -40.73 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.423 HD13 HD12 ' B' ' 640' ' ' LEU . 89.2 mt -73.81 -32.16 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.62 -65.38 3.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.05 -38.06 72.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -53.78 -56.16 20.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -66.1 -55.71 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.143 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.59 85.72 1.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -136.68 160.51 38.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.176 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -165.45 166.07 18.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 37.9 t -143.62 78.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.21 68.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.65 -26.84 10.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -157.79 154.54 28.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.54 159.68 32.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.39 -30.23 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.11 -58.54 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.37 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.06 -171.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -172.94 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -110.7 -28.6 8.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.2 -175.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.115 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.79 175.94 48.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.445 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 119.324 -0.369 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . 0.647 ' HE1' HG23 ' B' ' 681' ' ' THR . 1.4 tpt 60.85 34.47 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 78.1 p -105.3 -10.55 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.97 2.27 56.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.465 HG21 ' HB3' ' B' ' 683' ' ' ALA . 24.1 mm -70.59 -72.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 9.4 ptm -172.42 29.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.19 144.79 16.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.25 -66.9 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -128.28 160.56 61.43 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.708 0.765 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -19.71 35.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.617 2.211 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -54.73 -27.57 41.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 37.6 mtt -68.44 -39.23 81.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.507 HD22 ' CG ' ' B' ' 680' ' ' ASN . 1.5 tp -86.65 -65.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -105.64 -153.9 21.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -151.23 172.73 15.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 60.86 -174.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -153.39 -67.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.407 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -117.17 31.79 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 6.4 mtt -79.4 -26.02 41.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.48 -31.02 32.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.46 -34.07 54.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.651 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.82 -33.92 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.84 -24.37 41.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 13.1 m -67.39 -52.51 39.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 19.5 mt -56.8 -36.55 70.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -51.99 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -30.49 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.456 HD12 ' CE ' ' A' ' 25' ' ' MET . 0.1 OUTLIER -58.39 -50.95 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.11 94.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.624 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -57.2 -38.22 73.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.84 -40.28 72.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 78.9 mt -73.16 -47.14 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.19 -32.87 62.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 631' ' ' ALA . 75.6 t -77.34 -31.21 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -52.81 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -56.46 -29.69 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -66.99 -25.6 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.15 -27.02 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.423 HD12 HD13 ' A' ' 76' ' ' LEU . 8.6 mt -100.0 25.94 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -51.91 -46.0 64.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 96.5 p -55.42 -26.57 42.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.26 -36.19 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -52.86 147.79 8.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -96.9 -70.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.66 -26.31 21.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -98.41 28.15 4.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 3.2 p -117.19 -25.26 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.94 -78.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 60.1 mt -97.01 143.25 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.119 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.27 174.4 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.61 -38.27 88.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.48 -41.17 63.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.2 55.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 44.9 t90 -54.4 -53.86 48.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -53.26 -28.6 28.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -55.17 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.16 -50.85 70.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.99 -51.46 57.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -52.01 -50.18 61.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -59.34 -41.39 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -62.88 -54.11 43.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.831 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.3 OUTLIER -54.12 -55.43 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -52.74 -34.63 53.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.41 -41.41 73.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' B' ' 663' ' ' MET . 6.5 mt -63.2 -45.93 89.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 663' ' ' MET . 27.0 t -55.05 -51.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -70.33 -32.28 69.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -52.23 65.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.651 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 36.3 t80 -68.35 -44.75 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -60.83 -22.75 64.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.26 61.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -62.37 -47.44 84.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.78 0.65 42.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.811 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 7.3 t -58.28 -23.77 57.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.806 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.93 -5.51 46.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -53.01 -53.23 53.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -82.3 -17.52 45.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -53.49 -27.13 23.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . 0.507 ' CG ' HD22 ' B' ' 613' ' ' LEU . 2.0 m-20 -69.03 -40.68 78.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . 0.647 HG23 ' HE1' ' B' ' 602' ' ' MET . 1.2 m -58.43 -23.85 58.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 32.0 mtm -51.58 -33.49 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . 0.465 ' HB3' HG21 ' B' ' 605' ' ' ILE . . . -53.78 -29.93 42.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.075 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.9 ttt -59.97 157.72 12.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 4.4 ptp -74.25 -27.98 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.94 -37.98 54.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -57.62 3.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 57.85 62.39 2.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 1.9 t -116.0 -34.0 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -22.41 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.25 -60.83 2.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.1 -24.76 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.2 -25.22 25.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -45.19 71.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -64.81 144.42 57.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 95.29 104.29 1.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 60.04 94.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mt -80.84 112.64 18.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.66 -172.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.22 32.47 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.806 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -115.65 -59.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -116.13 33.82 5.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.9 pt -75.0 152.38 86.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -164.86 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.268 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' C ' HD12 ' A' ' 11' ' ' LEU . 5.0 pt20 -179.94 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 10' ' ' GLN . 5.5 mp -137.54 26.48 2.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.84 127.12 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.75 60.66 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.51 -31.42 72.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -28.83 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.17 120.23 20.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.6 -29.66 69.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.79 -51.62 65.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.66 84.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.88 -36.99 65.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -40.29 70.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.27 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.05 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.34 -35.48 92.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.38 -37.66 88.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.746 0.308 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.521 ' HE1' ' HB3' ' B' ' 629' ' ' LEU . 45.3 tpp -57.36 -58.86 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -56.4 -25.94 51.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -74.78 -29.2 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -69.31 -45.78 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.159 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.0 mp -73.23 -47.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.72 63.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -72.9 -34.13 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.91 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.88 -47.65 79.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -55.16 -33.94 63.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.7 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.81 -46.48 64.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.5 mtt -55.65 -56.85 15.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -52.11 -49.94 62.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.784 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -23.79 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -7.04 58.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.83 57.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -53.31 -31.58 44.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.99 -34.4 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 63.46 -170.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.2 -145.19 24.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.97 166.48 15.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.5 155.01 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.5 t -88.79 171.78 9.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.773 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.11 -36.58 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.21 -26.09 37.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -67.54 -34.36 76.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.0 -54.04 51.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.48 -47.58 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.2 93.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -63.69 -38.47 91.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.88 65.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -64.57 -39.35 93.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -65.09 -54.83 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.9 -32.38 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.58 88.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HB1' HD12 ' B' ' 666' ' ' LEU . . . -79.35 -40.74 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.48 -31.44 23.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.41 -30.34 62.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.37 28.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.537 HG13 ' CH2' ' B' ' 659' ' ' TRP . 27.1 t -63.81 -35.3 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -66.88 -44.16 81.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -69.89 -35.77 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.439 ' HA ' HG22 ' A' ' 71' ' ' VAL . 82.5 mt -72.0 -26.61 62.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD21 HD13 ' B' ' 633' ' ' ILE . 5.1 mt -70.22 -30.09 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.72 -55.06 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.905 HG21 HD12 ' B' ' 650' ' ' ILE . 27.0 m -57.03 -32.92 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.1 77.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.662 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 42.2 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.6 22.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -58.77 -33.97 70.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.17 -29.27 31.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.53 -65.51 2.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.07 -48.77 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.03 -28.41 38.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.509 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -107.27 -179.77 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -128.79 64.8 0.6 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.43 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.2 m -130.33 141.39 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -61.33 165.12 4.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.5 t -143.69 78.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.0 68.63 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.05 -26.47 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 60.73 92.16 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.74 176.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.51 90.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.55 -25.72 65.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.05 31.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 t -58.59 133.68 56.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.45 125.27 25.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -56.61 131.71 49.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.937 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m 52.76 69.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.95 58.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.918 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 56.98 72.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 50.9 p -116.19 -24.42 8.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.87 10.91 21.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.59 -69.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -161.69 49.58 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -122.84 126.89 48.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -134.32 -72.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -119.19 160.48 41.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.09 37.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.22 -45.54 75.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -27.5 64.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' B' ' 679' ' ' ALA . 5.4 mt -90.3 128.87 36.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 163.14 122.61 0.61 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.452 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.65 136.8 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -83.39 142.27 31.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -156.49 -176.22 28.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.423 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -36.26 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -31.0 46.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.03 33.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.08 -47.81 59.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -55.2 -56.6 18.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.427 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.81 -40.93 61.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.53 -24.89 48.64 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.414 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.0 m -66.83 -39.08 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.78 -44.39 90.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . 0.634 ' CD ' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -52.62 -42.12 64.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.0 m -75.99 -31.12 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.521 ' HB3' ' HE1' ' A' ' 25' ' ' MET . 0.1 OUTLIER -66.67 -52.72 41.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.9 -33.84 56.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.24 76.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.084 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.9 -43.71 77.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.613 HD13 HD21 ' A' ' 69' ' ' LEU . 50.5 mt -72.95 -34.0 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.28 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 99.5 t -56.27 -51.38 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -53.39 -37.28 62.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.576 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.81 -32.1 63.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.59 -24.86 58.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.18 -25.29 36.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.79 28.34 8.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . 0.576 ' NE2' HE21 ' B' ' 637' ' ' GLN . 7.2 mm-40 -54.65 -38.95 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.4 p -62.63 -26.51 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -75.66 -31.18 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -52.05 149.26 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -94.1 -63.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.97 32.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -144.8 26.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 29.8 p -118.63 -29.77 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 174.63 -79.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.905 HD12 HG21 ' A' ' 71' ' ' VAL . 59.4 mt -93.0 144.14 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 111.085 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.49 171.42 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -64.03 -38.64 91.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.56 -49.02 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 41.4 t90 -54.43 -53.66 51.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -52.25 -29.72 24.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -81.02 -53.51 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -56.27 -50.35 71.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.537 ' CH2' HG13 ' A' ' 65' ' ' VAL . 67.7 t-105 -52.05 -50.99 60.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -59.32 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.82 -45.88 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.05 -54.3 48.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.694 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.73 -50.39 60.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -54.89 -38.59 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -66.1 -45.8 79.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.508 HD12 ' HB1' ' A' ' 61' ' ' ALA . 10.2 mp -59.64 -43.56 93.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 663' ' ' MET . 20.3 t -60.76 -51.26 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -65.56 -31.67 72.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.07 -33.53 65.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.427 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 32.5 t80 -83.13 -46.75 12.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -62.0 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.75 -50.2 38.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -60.43 -35.82 76.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 95.2 p -82.11 -26.44 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -29.68 67.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -68.46 -12.96 61.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -51.42 -44.57 62.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.57 -17.17 49.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.517 ' HB2' HD21 ' B' ' 613' ' ' LEU . . . -56.92 -22.48 37.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -56.53 -70.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.81 -35.37 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . 0.4 ' HE2' ' HB3' ' B' ' 682' ' ' MET . 41.4 ttp -51.77 -31.06 25.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -53.39 -35.17 60.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 99.47 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.5 ptp -64.49 -32.78 74.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.45 -63.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.52 -30.44 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.27 88.29 6.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.4 t -114.08 -35.58 5.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -86.51 -27.74 23.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.72 -60.8 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -52.76 -27.89 19.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -94.48 -22.09 18.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 132.95 32.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -112.66 95.8 5.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 148.45 163.75 11.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.763 0.316 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.27 165.19 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.46 172.27 7.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.74 123.64 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -101.04 31.01 3.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.77 -56.22 2.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -52.31 -34.44 46.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -93.36 152.53 41.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 83.96 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 2.278 . . . . 0.0 112.357 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.8 tp-100 -111.05 152.04 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.82 20.52 11.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -101.49 143.42 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.53 23.44 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.131 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.37 -32.77 49.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -58.64 -62.79 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.44 100.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.786 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.8 -39.07 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' HG23 ' B' ' 633' ' ' ILE . 32.9 t80 -77.86 -48.79 15.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.39 -30.83 31.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.29 -52.01 45.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -36.15 78.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' CB ' HD12 ' A' ' 69' ' ' LEU . . . -62.42 -50.75 70.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.13 -25.68 74.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tp -79.92 -33.63 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.408 ' HE3' HD12 ' B' ' 633' ' ' ILE . 0.3 OUTLIER -55.47 -59.07 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -57.51 -23.72 51.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.13 -39.62 29.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -51.86 -43.56 63.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -72.92 -45.85 54.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.83 -45.08 70.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.484 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -39.97 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.78 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.94 -34.27 62.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -66.65 -34.25 77.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.9 91.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.056 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.23 99.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mtt -52.4 -49.67 64.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -58.5 -46.04 87.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.99 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -85.04 -7.1 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -22.44 48.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -51.77 -31.43 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -135.25 54.43 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.53 -26.62 55.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.99 -49.11 56.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.446 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -135.21 128.31 31.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 p -112.09 154.36 25.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.5 p -84.98 138.28 32.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.08 -24.96 60.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.71 -49.93 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -56.34 -46.92 79.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 55' ' ' HIS . 2.1 tt0 -62.96 -47.73 81.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.52 -56.87 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.91 -28.61 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 52' ' ' GLN . 5.5 t-160 -62.88 -53.56 52.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 59' ' ' VAL . . . -61.12 -31.04 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -68.42 -36.46 79.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.99 -53.96 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 56' ' ' ALA . 5.0 p -53.3 -36.89 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -30.36 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' B' ' 666' ' ' LEU . . . -79.32 -44.65 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.47 -31.6 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.14 83.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' B' ' 662' ' ' ALA . 9.3 tptt -59.92 -52.45 65.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.736 HG21 HD11 ' B' ' 666' ' ' LEU . 18.9 t -54.6 -52.55 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -30.57 29.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 71' ' ' VAL . 44.4 m -79.65 -27.4 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 65' ' ' VAL . 69.7 mt -74.83 -40.63 60.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD2' HG12 ' A' ' 65' ' ' VAL . 2.8 mm? -55.09 -50.97 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -59.23 -32.24 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 67' ' ' THR . 98.3 t -76.08 -37.52 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.29 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.697 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 57.2 mt-30 -71.4 -33.9 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.37 77.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.52 -38.13 62.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.518 HD13 HD12 ' B' ' 640' ' ' LEU . 48.0 mt -74.67 -25.89 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 -72.45 1.63 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -45.98 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.697 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -55.13 -26.0 35.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.99 176.96 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.17 56.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -137.92 173.62 11.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -149.06 171.08 16.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.2 t -76.8 86.6 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.7 70.32 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.64 -33.83 7.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.642 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER 63.42 167.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.805 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 63.96 158.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.5 -29.51 17.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.46 15.04 13.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 87' ' ' ASP . . . -55.52 -26.32 42.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.72 101.84 2.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 t -151.59 101.96 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -178.01 145.83 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.003 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m 57.28 71.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.83 104.09 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.516 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 16.9 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.859 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.35 71.95 9.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -24.36 8.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.7 10.85 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.3 mm -78.74 -69.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 5.5 ptp -161.59 49.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -122.26 61.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -75.44 -52.29 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -115.9 160.47 35.08 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.656 0.741 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -20.89 34.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.612 2.208 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.46 70.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -43.53 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -55.49 19.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . 0.458 ' N ' HD21 ' B' ' 680' ' ' ASN . . . -70.15 144.91 40.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.28 176.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.83 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 61.27 -178.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 140.36 39.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.2 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 37.9 mtp -58.55 -25.29 62.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.46 -30.99 32.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.22 -31.81 59.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -43.98 94.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -52.06 -47.82 64.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.52 24.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 26.6 m -60.68 -36.75 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 0.0 111.137 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 626' ' ' LEU . 3.9 mm? -65.45 -46.14 81.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . 0.434 ' HG3' HG21 ' B' ' 667' ' ' VAL . 6.8 tt0 -52.64 -40.83 63.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -32.82 59.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.408 HD12 ' CE ' ' A' ' 25' ' ' MET . 0.1 OUTLIER -68.62 -44.16 74.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -67.0 -44.5 88.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.33 -31.87 46.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.89 -41.64 99.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.427 HG23 ' CZ ' ' A' ' 18' ' ' PHE . 8.3 mt -72.95 -32.61 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.15 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.27 -31.77 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.88 -52.93 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -67.21 -29.81 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.88 -25.78 63.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.15 -26.03 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.518 HD12 HD13 ' A' ' 76' ' ' LEU . 10.3 mt -101.09 25.43 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -52.1 -51.06 60.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -26.42 59.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.33 -31.65 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.07 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -52.02 149.14 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.43 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 81.63 16.93 71.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.7 -27.2 6.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.6 p -77.64 -30.42 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.159 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -173.06 -120.66 0.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.607 ' HB ' HG11 ' A' ' 71' ' ' VAL . 59.0 mt -54.89 143.19 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 174.62 6.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -62.84 -40.87 98.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -74.71 -42.66 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . 0.489 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -66.53 -35.32 79.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -70.02 -54.27 13.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.59 -28.05 30.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.09 -26.51 18.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.489 HE21 ' HB1' ' B' ' 654' ' ' ALA . 29.2 mt-30 -76.28 -53.0 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -56.7 -41.73 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -49.99 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.96 -46.09 86.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . 0.441 ' HB2' ' CG ' ' A' ' 64' ' ' LYS . . . -57.3 -54.74 43.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.806 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.1 OUTLIER -56.39 -57.47 12.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.25 -33.74 42.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -66.72 -50.48 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.0 mt -57.14 -48.75 77.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 663' ' ' MET . 32.5 t -52.15 -49.3 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -70.42 -30.52 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.08 -38.78 71.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.6 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 17.4 t80 -70.17 -52.75 21.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.97 -23.3 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.93 62.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 57.8 ttp -65.66 -36.46 83.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.68 0.58 42.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 15.1 p -61.08 -18.95 60.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.36 -4.83 44.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -56.16 -51.02 69.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -82.15 -17.23 47.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.48 -29.15 15.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . 0.458 HD21 ' N ' ' B' ' 614' ' ' GLY . 4.8 m-20 -67.85 -39.95 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 85.3 m -59.18 -23.7 62.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 33.0 mtm -51.66 -30.02 20.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.49 -30.16 19.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -100.62 83.27 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 8.0 ttt -55.89 -25.68 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -57.39 -26.87 61.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -71.72 -12.32 61.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . 0.44 ' O ' HG23 ' B' ' 689' ' ' THR . 14.5 p-10 -51.61 132.55 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . 0.44 HG23 ' O ' ' B' ' 688' ' ' ASP . 0.8 OUTLIER -158.8 -55.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.216 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -22.96 20.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.23 -60.9 2.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.77 -24.72 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.08 -25.24 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 174.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -124.3 -72.25 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 136.34 110.34 1.03 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.447 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.763 0.316 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m -123.25 83.04 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.6 120.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -124.03 133.07 53.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -141.87 63.03 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.35 -55.68 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -148.71 54.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -94.96 152.45 39.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 80.8 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.667 ' O ' HD22 ' A' ' 11' ' ' LEU . 1.5 pt20 -80.13 -37.42 33.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 10' ' ' GLN . 3.8 mm? -132.0 78.54 1.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.26 -36.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.63 29.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -41.72 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.58 -30.13 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -158.86 96.89 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.99 -30.66 22.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -61.1 -45.47 94.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -34.38 39.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.05 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -49.88 14.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 69' ' ' LEU . . . -57.77 -37.91 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.04 -25.72 74.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.6 -30.23 52.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.87 -58.72 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -56.05 -25.6 45.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -74.69 -32.26 62.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 m -67.94 -46.41 71.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.619 HG13 HD21 ' B' ' 626' ' ' LEU . 4.4 mp -72.19 -47.47 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.02 -46.81 68.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -73.04 -43.11 62.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.72 68.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -73.93 -39.52 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.55 -34.27 77.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.15 79.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.57 -26.31 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.8 mmt -72.69 -31.68 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.81 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -48.2 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.47 69.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.16 -7.0 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.76 -22.57 47.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.76 -30.92 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.73 -57.73 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.62 101.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.01 125.0 4.49 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.13 171.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.7 t 62.07 86.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 p -174.39 60.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.22 -54.27 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.155 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.675 ' HB2' ' C ' ' B' ' 601' ' ' SER . . . -75.19 -41.64 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.95 -35.03 74.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.53 -54.07 50.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.72 -47.22 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' B' ' 673' ' ' MET . . . -64.34 -38.43 91.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -67.49 -40.33 85.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.06 -30.77 65.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -67.5 -32.63 73.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' HA ' ' HB1' ' B' ' 669' ' ' ALA . 3.4 t80 -71.91 -55.15 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -53.65 -32.42 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.84 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -41.52 27.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.54 -37.9 51.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.21 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -57.26 -52.86 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.724 HG21 HD22 ' B' ' 666' ' ' LEU . 21.6 t -58.19 -53.29 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -36.19 58.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.691 ' O ' HG23 ' A' ' 71' ' ' VAL . 41.1 m -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 65' ' ' VAL . 37.6 mt -71.88 -48.07 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.676 HD11 HD13 ' B' ' 633' ' ' ILE . 1.2 mm? -55.4 -33.68 63.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -32.67 61.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.889 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 67' ' ' THR . 85.6 t -76.89 -34.1 22.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.19 77.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.738 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 73.7 mt-30 -68.02 -40.85 82.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.47 75.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.7 -38.69 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.2 mt -72.2 -28.03 62.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.3 -71.72 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.555 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -43.32 65.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -55.72 -25.95 42.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.738 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -120.75 -169.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.9 -27.65 4.22 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -175.53 170.88 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 111.064 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -153.3 164.57 37.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.39 84.79 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.31 60.24 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.22 -30.96 7.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -167.85 177.45 5.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.42 155.51 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.25 -26.77 21.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.24 -33.33 65.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.38 -63.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.3 t 52.03 40.9 29.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.93 -177.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.188 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -126.5 134.05 51.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.79 107.78 5.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.31 -99.27 1.37 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 119.297 -0.382 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . 0.675 ' C ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.878 0.37 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . 0.667 ' HB3' HG21 ' B' ' 676' ' ' THR . 0.5 OUTLIER -132.53 21.21 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 2.1 p -97.55 -14.04 21.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.55 11.01 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.684 HG22 ' HG2' ' B' ' 606' ' ' MET . 35.0 mm -79.11 -72.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.684 ' HG2' HG22 ' B' ' 605' ' ' ILE . 1.2 ptp 179.92 53.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -131.18 -176.31 3.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -85.77 -170.1 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -62.32 160.53 31.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.621 0.724 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.44 37.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.724 2.283 . . . . 0.0 112.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.48 -50.84 68.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 20.8 ptp -87.37 -29.72 21.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.468 HD21 HG23 ' B' ' 676' ' ' THR . 0.5 OUTLIER -67.63 88.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 140.86 74.51 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -139.15 -56.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -90.03 177.08 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 144.9 115.94 1.03 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.426 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 -27.12 62.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 4.7 mtp -56.18 -25.26 46.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.49 -30.96 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.058 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -42.88 60.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -57.15 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -52.77 -32.94 46.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.31 -27.57 24.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.7 m -64.67 -38.84 92.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.14 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.954 HD23 HD11 ' B' ' 666' ' ' LEU . 10.4 mp -61.32 -39.59 91.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -66.62 -50.11 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.4 t -64.26 -53.21 52.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.551 ' O ' HD12 ' B' ' 629' ' ' LEU . 9.0 tp -61.76 -34.88 76.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.83 93.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.44 78.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -55.9 -42.3 75.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.676 HD13 HD11 ' A' ' 69' ' ' LEU . 78.3 mt -73.26 -35.89 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.61 -42.39 82.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 11.7 p -77.42 -31.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.82 -50.48 73.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -69.99 -29.71 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.25 62.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.28 -24.65 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.92 25.66 9.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -55.22 -49.11 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 58.7 m -55.43 -26.32 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.48 -30.87 42.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -52.08 150.24 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -96.4 -65.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 105.1 -28.99 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.78 25.94 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.813 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 4.1 p -126.96 24.64 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.52 -106.32 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 54.6 mt -78.33 144.18 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 0.0 111.106 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.36 170.83 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -60.89 -42.07 97.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.16 -42.05 56.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.57 84.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -70.2 -53.75 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -53.81 -28.79 37.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.75 -23.89 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -76.35 -51.55 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.53 ' CE3' HD13 ' A' ' 68' ' ' LEU . 52.7 t-105 -51.9 -49.4 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -58.08 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -56.73 -48.57 77.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.7 34.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.726 ' O ' HG23 ' B' ' 667' ' ' VAL . 28.6 tpp -55.59 -43.03 75.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -53.54 -56.49 16.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.43 -28.25 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.954 HD11 HD23 ' B' ' 626' ' ' LEU . 0.3 OUTLIER -68.77 -37.1 79.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 663' ' ' MET . 99.4 t -66.94 -51.47 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -59.15 -30.41 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -55.96 -26.97 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.647 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 52.6 t80 -85.77 -52.23 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.14 -25.28 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.34 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . 0.505 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -68.21 -47.17 68.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 24.9 t -62.31 -21.7 65.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 28.4 t -51.97 -30.46 25.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.667 HG21 ' HB3' ' B' ' 602' ' ' MET . 0.6 OUTLIER -102.9 -21.09 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -53.43 -28.12 28.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.59 -22.18 55.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.61 -29.67 18.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.138 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -52.03 -48.99 64.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -32.1 62.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 15.9 mtm -54.68 -26.9 36.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.36 -29.12 22.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.3 ttm 63.32 105.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.19 -26.65 40.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.81 -46.09 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.22 -26.36 68.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.06 77.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.4 t -110.52 -34.78 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.36 -23.01 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.41 -60.76 2.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.68 -24.8 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.85 -26.28 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.64 -58.63 7.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -84.84 142.98 29.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 94.05 138.2 9.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.512 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.352 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.32 136.61 23.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.78 103.44 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.6 mt -100.2 -35.59 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -172.33 52.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.41 -43.12 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -164.98 58.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -127.04 152.47 75.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.578 0.704 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 84.5 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.638 2.225 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.03 151.81 27.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 mp 54.61 27.45 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.3 t -81.48 132.09 32.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.83 27.58 16.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 t -59.23 -28.18 66.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -68.89 -26.01 64.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.06 93.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 -29.72 68.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CD1' ' HB1' ' A' ' 79' ' ' ALA . 12.4 t80 -57.18 -51.74 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.76 -39.58 74.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.62 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.91 -42.1 49.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.25 68.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.74 -25.69 74.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -74.63 -26.72 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.408 ' HA ' HD13 ' B' ' 629' ' ' LEU . 26.1 tpp -60.57 -58.64 7.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -57.06 -25.65 59.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -69.1 -39.13 79.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -45.64 91.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.677 HG13 HD21 ' B' ' 626' ' ' LEU . 4.5 mp -73.09 -46.51 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.08 84.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -73.08 -41.64 63.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.62 -28.87 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -70.7 -33.33 70.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -57.9 -33.91 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.05 -49.22 72.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.15 -65.66 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 ptp -51.98 -37.09 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.3 m -58.82 -40.76 85.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.44 71.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -6.95 59.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.74 -22.73 48.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.067 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.67 -30.45 21.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -123.57 -45.07 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? 61.16 72.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.33 158.37 12.31 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.87 -173.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.78 -170.16 3.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 169.68 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.74 -57.3 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.094 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.51 -38.78 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.81 -34.42 78.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.73 -54.01 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.57 -50.98 59.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.58 89.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -64.12 -36.45 84.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.28 -30.75 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.54 -35.42 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 87.7 t80 -69.09 -54.75 13.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.99 -33.57 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.83 98.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.28 -41.56 27.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 -33.18 35.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.09 99.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -62.94 -52.57 62.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.47 HG11 HD22 ' B' ' 666' ' ' LEU . 7.2 p -66.53 -31.61 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -71.17 -50.77 29.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 m -59.62 -49.47 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' B' ' 658' ' ' GLN . 66.2 mt -54.5 -28.43 44.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.59 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.984 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.4 -51.6 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.82 HG21 HD12 ' B' ' 650' ' ' ILE . 22.8 m -59.82 -32.92 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.53 -50.09 72.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 66.4 mt-30 -70.11 -33.94 72.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.85 -36.4 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -81.24 -39.12 25.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.652 HD13 HD12 ' B' ' 640' ' ' LEU . 54.7 mt -75.64 -29.23 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.77 -75.75 1.05 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 -32.25 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.04 -59.23 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.513 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . . . -178.14 -176.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.03 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.77 143.0 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -141.93 171.05 14.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.768 0.318 . . . . 0.0 111.191 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -120.62 165.25 15.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.6 t -143.64 78.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.0 68.38 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.158 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.19 -28.5 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.54 -179.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.95 155.8 41.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.14 -35.72 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.86 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.9 -63.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.6 p -61.72 156.7 19.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.56 -177.44 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -144.31 146.48 32.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 72.4 p -70.8 142.15 51.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.26 -175.95 15.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.3 p90 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.829 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.9 mtp 55.12 61.04 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 11.4 p -121.17 -18.22 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.06 10.97 29.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.777 HG22 ' HG2' ' B' ' 606' ' ' MET . 25.5 mm -76.29 -70.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.777 ' HG2' HG22 ' B' ' 605' ' ' ILE . 0.7 OUTLIER -168.85 -83.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 49.15 35.39 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -67.16 -29.13 68.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . 0.426 ' HA ' ' HD2' ' B' ' 610' ' ' PRO . 1.0 OUTLIER -123.44 93.65 47.5 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' B' ' 609' ' ' TYR . 53.8 Cg_endo -69.76 -17.3 37.64 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.414 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -53.58 -44.78 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 5.4 ptm -58.61 -31.77 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.701 HD21 HG23 ' B' ' 676' ' ' THR . 0.4 OUTLIER -79.28 126.81 31.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 93.67 136.82 8.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -99.85 -30.39 12.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 62.61 91.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -101.71 -104.14 2.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -94.37 -34.83 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -31.13 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -56.41 -31.01 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.67 -49.19 76.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -55.64 20.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.48 55.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.85 -24.64 34.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 32.7 m -59.91 -42.69 94.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 111.13 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.677 HD21 HG13 ' A' ' 29' ' ' ILE . 6.6 mp -68.13 -47.12 68.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -37.74 59.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -53.06 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 25' ' ' MET . 0.9 OUTLIER -54.4 -38.88 66.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.95 -52.44 35.02 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.51 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.306 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -55.88 -42.01 75.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.464 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 70.7 mt -73.48 -32.44 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.44 -53.15 38.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.27 -31.67 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.58 -41.91 98.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -37.51 86.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.62 -24.58 61.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.79 -22.19 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.652 HD12 HD13 ' A' ' 76' ' ' LEU . 9.5 mt -117.16 36.02 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -56.38 -49.48 74.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -26.11 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.2 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -58.4 144.07 43.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -92.54 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 106.36 -21.58 32.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.87 26.33 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 56.5 p -119.68 -31.13 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.93 -117.67 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.82 HD12 HG21 ' A' ' 71' ' ' VAL . 55.8 mt -54.45 143.54 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.12 170.67 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -63.82 -38.91 92.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.67 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.19 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -59.46 -41.61 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -52.75 -56.04 18.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.35 78.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 68' ' ' LEU . 32.1 mt-30 -56.24 -50.89 70.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.464 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 65.3 t-105 -61.06 -56.13 24.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -50.88 -48.97 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -63.37 -35.23 79.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -67.79 -54.91 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.703 ' O ' HG23 ' B' ' 667' ' ' VAL . 38.5 tpp -58.16 -39.66 79.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -55.39 -56.14 23.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -70.47 -28.15 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.598 HD12 ' O ' ' B' ' 666' ' ' LEU . 0.3 OUTLIER -65.33 -37.49 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.703 HG23 ' O ' ' B' ' 663' ' ' MET . 99.1 t -67.11 -51.21 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -65.99 -38.9 89.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.25 -25.07 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -85.47 -57.56 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -23.5 62.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.81 -37.22 59.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.9 ttp -52.34 -49.85 63.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -23.95 33.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 9.8 t -54.63 -33.31 60.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.701 HG23 HD21 ' B' ' 613' ' ' LEU . 0.2 OUTLIER -89.13 -14.07 37.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.091 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -51.56 -43.5 62.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -81.61 -17.1 49.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -56.29 -22.92 33.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -56.27 -70.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 35.5 p -54.98 -35.4 64.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.5 ttp -51.82 -37.48 51.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.2 -35.06 74.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.86 174.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 5.2 ptp -92.65 -29.04 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -53.45 -48.89 68.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -70.62 -44.88 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.73 101.41 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 1.8 p -106.01 -49.57 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.19 -23.58 20.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.93 -60.77 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.78 67.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.09 -25.09 30.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 178.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 21.6 t-105 -60.53 -59.93 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -175.92 -111.36 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.717 0.294 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.76 159.48 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mp -88.91 -62.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp 56.07 -172.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.0 74.2 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.87 -61.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -132.39 42.57 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -119.13 152.45 52.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 83.25 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.763 2.308 . . . . 0.0 112.314 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -58.04 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.17 24.54 12.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -75.15 -26.59 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.1 52.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -77.29 -26.3 52.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -49.71 62.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.06 102.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.94 -27.62 8.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -72.28 -51.78 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.19 -31.11 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.82 85.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -38.48 59.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.74 89.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.13 72.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.22 -27.4 65.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.42 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.78 -58.69 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.46 -26.21 41.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -72.9 -29.84 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.542 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.2 OUTLIER -71.78 -45.37 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.1 mp -73.22 -47.81 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -46.83 65.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -72.96 -34.05 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.51 -27.63 65.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -71.62 -32.59 68.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.77 -34.73 40.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.38 -33.55 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.82 -19.3 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.0 mmt -51.7 -30.32 21.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 p -52.03 -43.93 63.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.4 -29.06 56.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -67.32 -13.36 61.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.596 ' HB1' ' HB2' ' A' ' 44' ' ' GLN . . . -55.75 -41.8 74.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 63.62 -83.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -110.48 25.02 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.596 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 2.3 mm-40 -114.97 25.87 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.69 -46.08 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -144.6 132.37 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.13 145.64 29.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.3 85.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.792 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.38 -25.68 50.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.28 -26.27 62.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.11 -34.7 68.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' HA ' ' HB3' ' A' ' 55' ' ' HIS . 2.1 tt0 -62.95 -47.85 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.4 -56.93 6.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.99 -28.5 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 52' ' ' GLN . 5.3 t-160 -62.85 -53.12 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.14 -30.85 68.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -68.11 -38.73 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.8 -54.28 16.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.53 -36.98 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.79 85.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 -39.47 33.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.75 68.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.77 -38.12 72.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -66.24 -47.65 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.687 HG21 HD22 ' B' ' 666' ' ' LEU . 20.9 t -60.47 -46.11 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -50.35 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.673 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.3 m -54.5 -46.14 73.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.19 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.538 HD13 ' HA ' ' B' ' 659' ' ' TRP . 47.1 mt -60.05 -44.99 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -57.24 -52.79 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -49.52 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 67' ' ' THR . 91.7 t -56.56 -33.06 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -48.44 80.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.604 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 77.2 mt-30 -69.68 -35.78 75.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -79.96 -40.81 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.408 HD13 HD12 ' B' ' 640' ' ' LEU . 95.5 mt -73.75 -31.83 63.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.31 -69.27 2.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.529 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.53 -32.39 50.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -60.15 -47.87 84.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -81.84 -169.81 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.47 -43.27 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.1 m -144.21 121.55 11.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -87.1 -177.9 6.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.1 t -80.92 84.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.38 59.35 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.45 -27.88 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 63.24 -179.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . . . -82.03 156.56 24.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.65 -35.95 17.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.07 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.556 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . . . -65.99 -60.53 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -53.16 169.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.13 167.51 12.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -64.51 -175.83 0.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.4 t -162.97 -171.31 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 93.79 30.81 8.64 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 119.368 -0.348 . . . . 0.0 110.914 -179.906 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 35.1 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.848 0.356 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.67 71.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 97.3 p -115.99 -24.47 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -89.78 10.88 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.3 mm -78.65 -69.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 18.7 ptp -161.59 49.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -122.51 54.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -106.24 -27.95 10.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . 0.416 ' HA ' ' HD2' ' B' ' 610' ' ' PRO . 52.4 m-85 -126.46 93.62 42.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.71 0.767 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' B' ' 609' ' ' TYR . 53.7 Cg_endo -69.73 -17.54 37.64 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -77.39 -33.86 55.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -27.86 26.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 8.8 tt -59.24 -39.88 84.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -138.13 141.42 12.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -144.77 152.74 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.773 0.32 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 61.37 85.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -111.21 136.32 13.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -38.14 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -26.6 68.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.54 63.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.46 -32.61 45.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -41.35 67.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.914 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -53.07 -45.05 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.9 -24.97 35.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 56.8 m -57.4 -35.09 69.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.496 HD23 ' CG2' ' A' ' 28' ' ' THR . 54.0 mt -68.16 -44.36 76.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . 0.479 ' HG3' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -60.16 -36.91 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 3.3 m -75.93 -53.1 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.542 HD13 ' OG1' ' A' ' 28' ' ' THR . 4.1 tt -57.85 -52.64 64.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.61 -36.51 48.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.672 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.46 -32.08 48.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.099 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.96 -34.08 77.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 77.3 mt -73.28 -38.73 54.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.42 72.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.672 HG23 ' O ' ' B' ' 631' ' ' ALA . 85.1 t -76.02 -31.42 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -51.4 45.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -64.98 -30.16 71.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.83 -25.0 67.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.24 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.408 HD12 HD13 ' A' ' 76' ' ' LEU . 11.2 mt -101.91 28.67 5.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -56.25 -50.15 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 94.7 p -57.61 -27.15 62.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.58 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -52.13 149.67 5.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -95.52 -72.28 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.8 -18.73 49.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -95.86 26.15 4.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -118.38 -28.28 5.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 167.24 -80.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.83 143.16 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.381 . . . . 0.0 111.18 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.99 174.29 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.99 -38.51 88.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -73.63 -41.19 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . 0.551 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -70.11 -42.67 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -62.14 -42.73 99.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.7 -55.82 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.72 -37.69 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.551 HE21 ' HB1' ' B' ' 654' ' ' ALA . 33.7 mt-30 -58.96 -52.72 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.538 ' HA ' HD13 ' A' ' 68' ' ' LEU . 72.2 t-105 -53.42 -58.97 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -55.95 -54.68 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -52.79 -34.18 52.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.41 -54.25 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.747 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.48 -38.63 54.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -55.38 -55.97 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.806 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -28.37 64.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.687 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.67 -37.36 87.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 663' ' ' MET . 46.4 t -72.66 -47.93 48.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 57.0 mtp85 -51.77 -31.54 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.45 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -84.9 -51.1 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.0 -48.44 73.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.89 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 ttm -54.2 -37.8 64.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -27.4 33.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 31.6 m -65.09 -29.09 69.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.56 6.93 45.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.194 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -63.09 -26.58 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -61.37 -26.27 67.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.82 -30.36 23.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -52.8 -52.65 56.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 62.5 p -70.54 -32.09 69.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 20.9 mtm -57.96 -33.58 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.36 -30.35 28.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.5 mmt -52.56 137.05 31.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -26.28 45.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -56.81 -42.71 80.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -32.24 54.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -113.45 68.78 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 8.9 t -86.62 -34.38 19.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.32 -23.07 20.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.61 -60.92 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.49 -24.64 67.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.83 -25.27 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.1 176.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.04 -68.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 92.01 -122.79 6.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.421 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.769 0.319 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -144.92 -48.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.2 mt -60.53 137.0 58.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.05 58.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.437 ' CB ' HD11 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -149.33 72.71 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.814 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.31 -56.25 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -61.78 -38.38 87.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.437 HD11 ' CB ' ' A' ' 5' ' ' ASP . 17.4 pt -65.77 152.44 93.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -164.71 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.752 2.301 . . . . 0.0 112.376 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.9 OUTLIER 179.0 105.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 58.13 22.49 9.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.664 HG23 ' H ' ' A' ' 10' ' ' GLN . 89.6 t -71.48 143.21 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . 74.16 -61.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.093 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.2 t -50.74 -56.14 13.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.36 -25.84 38.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 m 60.32 94.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.93 -26.18 64.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -55.06 -51.15 67.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.99 62.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.39 96.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -38.37 67.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.61 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.94 -32.07 69.83 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.465 HD23 HD11 ' B' ' 629' ' ' LEU . 0.4 OUTLIER -79.83 -28.75 40.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.883 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -58.8 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -58.23 -26.12 62.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.65 -26.92 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.597 ' CG2' HD23 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -71.17 -46.51 61.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.1 mp -73.17 -47.75 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.72 -47.51 64.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -72.98 -34.08 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.01 66.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -72.63 -33.0 66.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -52.63 -34.08 49.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.36 72.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.69 -31.0 62.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.09 -56.09 7.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.79 -46.55 71.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.73 -27.32 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -85.15 -7.06 59.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.61 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.73 -30.99 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -167.99 99.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -83.34 101.38 11.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.5 -91.08 0.1 Allowed Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.65 99.77 11.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.83 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.84 174.03 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.44 137.33 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.86 -52.26 64.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -26.23 64.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -71.99 -34.6 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.89 -54.06 21.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.67 -45.93 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' B' ' 673' ' ' MET . . . -64.27 -38.33 90.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -68.28 -38.68 81.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.3 -30.95 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.05 -42.38 99.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.25 -54.7 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.94 -32.72 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.8 76.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.57 39.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.25 -35.97 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.42 -33.28 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -70.2 -49.84 46.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.737 HG21 HD13 ' B' ' 666' ' ' LEU . 22.5 t -57.34 -44.59 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -49.33 73.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.8 m -57.06 -36.28 70.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 659' ' ' TRP . 58.3 mt -76.18 -33.37 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -47.92 68.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 67' ' ' THR . 92.8 t -54.81 -33.13 27.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.96 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.584 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 58.2 mt-30 -68.69 -35.64 77.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.37 74.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -79.86 -38.89 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.6 mt -73.8 -31.98 63.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.35 -70.4 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -31.19 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.584 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -58.48 -60.63 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.571 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -173.48 162.83 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -105.0 -159.82 23.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -173.64 172.42 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -67.82 -175.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.5 t -81.56 83.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.73 55.81 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.18 -26.54 63.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 59.06 -173.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.53 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.16 -44.6 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.86 -28.49 61.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.6 -51.55 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.71 127.11 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 80.2 p -71.29 -52.62 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.203 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -170.41 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.0 m 56.98 77.57 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.27 -151.61 6.46 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 119.355 -0.355 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 4.4 mtm -84.61 64.26 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 88.3 p -117.46 -22.75 8.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.74 10.88 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 26.2 mm -78.4 -71.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 14.8 ptp -171.49 29.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.49 112.18 2.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.44 -30.63 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -116.32 93.59 40.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -43.8 2.41 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -56.13 -43.98 78.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -29.33 45.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.57 93.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -169.56 106.23 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.89 155.55 27.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.761 0.315 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -89.65 -176.98 5.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -168.67 -153.01 8.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.84 -56.79 3.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.787 0.327 . . . . 0.0 110.808 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -26.96 60.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.86 -31.09 48.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.05 -36.67 52.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.65 -48.13 82.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.955 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.78 -41.93 62.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.49 -36.19 46.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.9 m -56.49 -40.3 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.597 HD23 ' CG2' ' A' ' 28' ' ' THR . 8.4 mt -67.33 -57.7 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -52.74 -35.55 56.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 41.9 t -75.68 -37.15 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.5 HD23 ' O ' ' B' ' 629' ' ' LEU . 5.8 tt -69.05 -43.26 75.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.3 -45.41 58.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.4 -38.66 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -55.96 -44.09 78.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.464 HD12 ' HZ2' ' B' ' 659' ' ' TRP . 69.6 mt -73.25 -32.53 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . 0.408 ' HB2' ' CD1' ' B' ' 659' ' ' TRP . . . -69.26 -40.42 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.41 -31.19 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.89 -52.83 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -65.03 -29.71 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.29 -24.7 65.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.62 -24.87 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.3 mt -105.96 29.8 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -56.05 -47.85 77.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -26.73 39.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.36 -30.94 62.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.5 t-105 -53.26 149.53 7.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -93.2 -70.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.76 32.23 6.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.404 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.19 26.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.9 0.381 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 72.8 p -119.83 -30.86 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.28 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.434 ' HB ' HG11 ' A' ' 71' ' ' VAL . 58.0 mt -102.47 142.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . 0.432 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -99.95 175.01 5.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . 0.432 ' H ' HG22 ' B' ' 651' ' ' THR . 56.0 p90 -66.27 -38.4 87.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -73.37 -41.17 63.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.2 -45.73 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.1 t90 -59.04 -48.47 81.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -54.25 -27.42 34.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.44 -27.33 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -75.79 -52.38 10.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.464 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 70.4 t-105 -51.96 -58.98 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.34 -57.84 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -52.94 -30.34 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' B' ' 659' ' ' TRP . . . -69.16 -54.77 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.51 ' O ' HG12 ' B' ' 667' ' ' VAL . 70.4 mmm -60.65 -30.09 69.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.8 -56.21 23.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.9 -28.29 58.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.737 HD13 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -68.42 -48.39 64.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.51 HG12 ' O ' ' B' ' 663' ' ' MET . 8.9 p -72.0 -30.4 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -65.87 -30.64 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.18 -27.04 52.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.595 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 58.0 t80 -85.66 -57.02 3.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -57.09 -27.0 61.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.34 -47.79 39.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . 0.535 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 27.8 ttp -51.89 -36.92 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.5 m -82.54 -26.98 31.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -31.57 66.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.66 -15.87 47.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -53.79 -27.63 30.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.77 -20.72 58.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.454 ' HA ' ' HE2' ' B' ' 682' ' ' MET . . . -51.68 -29.33 17.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -51.61 -64.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -25.21 59.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . 0.454 ' HE2' ' HA ' ' B' ' 679' ' ' ALA . 0.0 OUTLIER -60.41 -29.33 68.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.71 -34.44 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.8 ttm 62.09 -173.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -83.82 -26.63 29.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -55.78 -66.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 17.6 mmt-85 -57.62 -34.97 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -101.26 62.61 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.0 t -84.03 -33.94 24.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.36 -23.35 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.77 -60.78 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.27 -24.74 67.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.28 -26.61 24.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -59.58 -58.84 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -156.91 124.78 5.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -148.73 -55.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.417 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.65 127.16 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -52.04 131.65 31.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.12 -71.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -119.63 81.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.86 -32.4 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -169.01 36.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 pt -86.68 152.46 54.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 85.63 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.475 ' HG2' HD12 ' A' ' 11' ' ' LEU . 1.2 tt0 -104.45 153.57 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD12 ' HG2' ' A' ' 10' ' ' GLN . 0.9 OUTLIER 56.5 25.11 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.1 m -82.6 169.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.42 24.65 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.9 p -84.75 -37.9 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -83.19 -27.25 30.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.96 101.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.66 -27.74 11.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -74.01 -45.67 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.19 -30.27 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.41 -51.93 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -75.82 -23.64 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.05 71.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.06 -33.22 69.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.78 -24.25 63.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -56.08 -25.67 46.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -77.89 -25.87 48.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -71.92 -44.94 62.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.7 mp -73.19 -46.45 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.68 68.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -72.91 -34.43 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.24 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -32.66 69.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -55.3 -33.84 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.25 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.16 -61.04 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.3 ptp -56.99 -31.49 65.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -64.44 -58.67 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.61 -29.06 70.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -85.08 -7.03 59.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.76 -22.61 47.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.047 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.81 -30.59 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.7 -69.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 52.42 74.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.12 100.29 0.14 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 58.28 80.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -175.8 -36.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.41 85.95 7.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.14 -57.61 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.22 -32.91 50.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -57.12 -34.5 68.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.55 -53.27 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.66 -53.76 35.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HB1' ' HG3' ' B' ' 673' ' ' MET . . . -61.95 -38.54 88.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -65.2 -36.26 83.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.11 65.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -64.19 -39.71 94.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -64.77 -54.76 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -59.31 -33.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.89 81.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB3' HD23 ' B' ' 666' ' ' LEU . . . -79.38 -37.54 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.36 -35.1 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.13 64.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -39.93 64.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.719 ' CG2' HD11 ' B' ' 666' ' ' LEU . 11.4 t -66.85 -45.81 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -42.59 98.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -71.02 -34.52 71.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' B' ' 658' ' ' GLN . 28.4 mt -76.25 -26.47 56.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.645 HD21 HD13 ' B' ' 633' ' ' ILE . 6.5 mt -72.72 -30.03 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -54.21 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.069 HG21 HD12 ' B' ' 650' ' ' ILE . 33.3 m -55.47 -34.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.17 76.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 80' ' ' ALA . 87.3 mt-30 -71.74 -54.04 11.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.6 -52.71 54.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -59.17 -21.41 59.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.639 HD22 ' HB3' ' B' ' 643' ' ' ALA . 36.2 mt -91.06 -14.92 30.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.47 -86.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.55 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -33.13 21.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.85 -70.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -178.38 142.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.9 179.97 53.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -155.37 173.58 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.661 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 35.6 p90 -52.95 167.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.66 89.01 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.661 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . . . -106.17 49.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.56 89.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.3 -171.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.17 161.39 19.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.26 -51.83 5.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.41 -29.28 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.05 87.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.05 128.27 34.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 t -141.85 76.77 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -127.35 -67.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 p 51.4 -170.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.92 -92.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 119.327 -0.368 . . . . 0.0 110.917 -179.86 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 3.6 mtp -108.66 62.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 4.4 p -120.84 -18.66 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -92.93 10.77 29.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.746 HG22 ' HG2' ' B' ' 606' ' ' MET . 25.3 mm -75.82 -70.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.746 ' HG2' HG22 ' B' ' 605' ' ' ILE . 0.7 OUTLIER -168.88 -83.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.765 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 49.43 61.43 3.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.44 -68.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -130.39 160.58 65.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.692 0.758 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -12.76 33.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.393 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.47 -45.76 62.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.06 -25.97 66.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.86 47.02 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 140.62 -142.06 11.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.51 -68.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.808 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 63.01 168.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 131.72 -154.86 21.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -95.96 32.59 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 7.0 mtt -80.31 -25.85 39.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.98 -30.99 38.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.83 -32.85 41.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.28 -35.76 73.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.365 . . . . 0.0 110.92 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.668 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.27 -25.07 31.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 8.8 m -56.19 -45.25 79.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.528 HD22 ' H ' ' B' ' 626' ' ' LEU . 2.0 mm? -69.0 -39.5 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -53.52 -41.87 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.3 t -75.86 -34.99 60.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.1 -52.79 53.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -54.2 -51.18 52.45 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.646 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.31 -42.57 66.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.738 0.304 . . . . 0.0 111.071 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.72 -43.98 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.645 HD13 HD21 ' A' ' 69' ' ' LEU . 69.5 mt -73.41 -38.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . 0.654 ' HB2' ' CD1' ' B' ' 659' ' ' TRP . . . -65.71 -33.51 76.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 631' ' ' ALA . 84.9 t -77.55 -31.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.81 -52.82 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -59.67 -29.6 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.4 -29.22 65.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.32 -23.43 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 6.9 mt -96.66 25.48 5.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -54.91 -30.68 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 5.5 t -74.03 -26.34 60.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . 0.639 ' HB3' HD22 ' A' ' 76' ' ' LEU . . . -75.4 -25.41 57.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -63.58 121.25 13.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.92 -26.27 23.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.42 27.0 24.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.17 20.77 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 18.7 p -120.3 -31.05 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 178.12 -99.62 0.13 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 1.069 HD12 HG21 ' A' ' 71' ' ' VAL . 56.1 mt -65.8 143.84 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.413 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.86 164.94 12.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -60.45 -40.54 91.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -74.11 -41.54 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.3 68.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -54.52 -52.51 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.52 -30.03 18.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -82.99 -51.09 7.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.038 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' LEU . 10.1 mt-30 -56.54 -47.33 79.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' B' ' 634' ' ' ALA . 65.5 t-105 -51.9 -59.14 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -38.69 53.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -68.82 -35.74 77.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -69.94 -54.88 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.832 ' HA ' HD12 ' B' ' 666' ' ' LEU . 34.3 mmm -59.94 -48.77 80.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -55.3 -32.77 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -72.23 -50.61 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.0 mt -56.67 -47.72 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.723 HG23 ' O ' ' B' ' 663' ' ' MET . 42.1 t -51.3 -50.96 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -70.42 -31.31 68.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.14 -46.43 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.668 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 14.8 t80 -62.03 -56.75 15.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -59.46 -21.9 60.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.7 -38.91 61.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . 0.44 ' HG3' ' HB1' ' A' ' 54' ' ' ALA . 6.9 mtp -57.59 -32.14 66.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 5.3 p -76.32 -19.53 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 16.7 m -56.63 -24.14 46.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -64.8 -14.78 60.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.129 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -51.77 -42.29 62.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -82.0 -17.08 48.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -56.46 -22.76 34.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -55.46 -70.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 22.4 p -54.29 -36.5 63.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 40.9 ttp -51.82 -30.03 21.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.83 20.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.07 144.69 11.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -61.71 -25.98 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.96 20.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -81.09 -40.02 24.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.18 63.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.1 t -118.7 -29.6 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.24 -22.91 20.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.42 -60.81 2.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.81 -24.7 67.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -87.6 -25.24 23.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 120.34 6.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -139.89 96.22 3.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 72.28 -142.07 32.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 -179.884 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.29 141.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 163.42 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.0 -39.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -134.23 100.01 4.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.69 -61.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -129.57 55.72 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.5 pt -128.36 152.47 78.16 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 85.9 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.41 173.17 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.61 23.54 9.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.1 m -88.92 164.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.76 ' HB1' ' HB2' ' A' ' 17' ' ' ALA . . . 51.85 29.35 5.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.4 t -66.43 -26.41 67.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.93 -62.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 p -179.39 98.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.76 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . . . -114.13 -36.33 4.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 57.0 t80 -52.77 -51.93 58.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -34.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.15 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -19.52 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 18' ' ' PHE . . . -61.87 -50.19 73.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.32 -25.65 41.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -23.02 63.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -56.24 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -61.85 -24.06 66.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.14 -50.02 73.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -54.3 -50.32 67.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.2 mp -65.77 -48.15 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.62 -46.16 89.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -72.86 -39.54 66.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.38 -27.77 67.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.19 -32.33 70.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -51.72 -33.91 36.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.72 -34.39 71.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.55 -4.27 44.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 mmt -51.85 -30.02 21.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 p -54.48 -37.63 65.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' HB1' ' CD1' ' A' ' 51' ' ' PHE . . . -67.77 -23.77 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -6.88 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB1' ' HB2' ' A' ' 44' ' ' GLN . . . -55.53 -57.07 13.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 54.01 23.14 3.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.78 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.626 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -53.71 -44.74 70.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.99 -88.39 1.71 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -178.84 -71.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.943 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -52.16 141.77 17.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.45 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.53 -57.61 11.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 -31.88 71.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 45.7 t80 -61.29 -34.4 75.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -54.31 -53.19 57.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.45 -53.26 38.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -64.56 -35.94 82.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.98 -30.64 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -68.84 -32.63 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 34.0 t80 -73.51 -54.04 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.78 -32.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -44.24 22.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.18 62.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.61 -40.1 74.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -63.97 -46.42 84.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.68 HG21 HD13 ' B' ' 666' ' ' LEU . 21.5 t -62.53 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -49.1 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 71' ' ' VAL . 93.9 m -55.34 -49.73 71.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.8 -29.04 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.43 -43.37 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -74.42 -32.24 62.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 67' ' ' THR . 57.5 t -68.52 -34.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.51 -50.29 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.543 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 45.3 mt-30 -62.01 -33.31 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.4 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.499 ' ND2' HG12 ' A' ' 71' ' ' VAL . 70.0 m-80 -69.53 -36.24 76.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' B' ' 640' ' ' LEU . 40.2 mt -70.75 -33.36 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.27 -59.51 3.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.46 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -53.21 40.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -51.67 -52.97 43.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.29 144.93 31.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.75 27.49 12.43 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -108.35 170.09 8.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -159.29 165.33 33.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.5 t -143.71 78.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.07 68.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.19 -26.6 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 59.29 178.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.83 -179.12 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -88.77 -27.62 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.52 15.17 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.11 -60.7 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 m -143.5 91.18 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.999 0.428 . . . . 0.0 110.909 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 m -114.82 -33.39 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.102 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -168.1 149.23 5.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.98 0.419 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.5 p -125.02 174.83 7.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.3 -165.08 37.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.887 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 58.25 72.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 60.2 p -116.15 -24.49 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.797 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.81 10.96 21.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.66 -69.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 15.1 ptm -161.75 49.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -122.79 102.98 8.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -141.03 -59.62 0.5 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -116.13 160.56 35.11 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.662 0.744 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -23.61 30.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.57 2.18 . . . . 0.0 112.381 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -66.22 -25.58 66.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -43.68 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 22.7 tp -56.38 139.23 49.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 94.93 -142.09 15.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.45 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -172.78 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -59.49 122.56 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -112.4 84.31 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.06 -39.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 3.0 mtm -67.22 -29.81 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.85 -34.53 54.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -62.24 -38.65 96.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.45 -47.52 83.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.504 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -51.75 -42.77 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -61.96 -27.08 68.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 54.6 m -61.39 -33.91 74.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.883 0.373 . . . . 0.0 111.202 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.2 -47.3 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.87 -43.12 65.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 t -70.48 -30.48 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -52.83 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.87 -40.63 93.64 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -55.53 -32.36 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -66.45 -31.99 73.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.561 HD12 ' CZ2' ' B' ' 659' ' ' TRP . 76.6 mt -73.24 -41.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.053 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.68 98.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.7 -31.13 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -72.51 -52.66 14.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -61.85 -29.62 70.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.58 -24.68 36.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.407 ' HB2' HD22 ' A' ' 76' ' ' LEU . 12.5 mt -106.55 32.46 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -40.48 96.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.05 50.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -57.08 142.16 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.02 92.62 2.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -69.17 -6.66 54.49 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.03 -14.13 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.9 p -105.14 -31.07 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.68 -134.84 1.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.42 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.663 HD12 HG11 ' A' ' 71' ' ' VAL . 63.6 mt -53.65 137.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 158.77 19.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -55.63 -41.17 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.92 -42.72 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.66 -50.42 73.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -54.28 -49.74 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -29.7 18.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.95 -48.59 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.061 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -57.98 -50.72 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' B' ' 633' ' ' ILE . 70.1 t-105 -51.8 -59.26 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.74 -52.67 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -52.24 -32.88 38.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.18 5.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.543 ' O ' HG12 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.04 -31.35 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.29 -53.84 49.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' B' ' 669' ' ' ALA . 43.7 t0 -74.69 -26.7 60.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -72.14 -58.4 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 663' ' ' MET . 8.6 p -54.49 -41.8 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . 0.461 ' N ' HG13 ' B' ' 667' ' ' VAL . 20.5 ptt180 -72.63 -31.17 64.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' B' ' 665' ' ' ASP . . . -58.69 -25.63 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.504 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 83.1 t80 -85.6 -58.2 2.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -58.8 -55.49 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -53.02 -46.92 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 59.3 ttp -55.02 -32.14 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 17.3 m -82.81 -26.88 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 54.6 p -77.46 -47.76 18.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -13.81 61.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -55.07 -29.37 57.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -81.89 -24.06 35.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -51.53 -29.97 18.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.98 -54.88 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.1 m -74.17 -30.69 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 12.0 mtm -51.94 -45.64 64.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -81.43 -25.11 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.6 ttt 63.27 177.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.22 -26.49 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.69 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -53.95 -30.7 47.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.73 121.79 15.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 64.6 p -140.06 -52.73 0.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.39 -23.01 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.65 -60.88 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.44 -24.68 67.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.41 -25.01 29.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -38.68 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -83.45 -70.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 159.35 -59.29 0.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.54 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.506 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -103.83 74.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -114.08 -61.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.78 142.87 29.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 t0 61.39 35.37 17.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.82 -58.18 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -139.48 35.79 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -78.77 152.44 77.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 111.168 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 86.04 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.784 ' HG3' HD12 ' A' ' 11' ' ' LEU . 10.4 tp-100 -98.41 -70.86 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.784 HD12 ' HG3' ' A' ' 10' ' ' GLN . 1.1 mp -109.22 20.84 17.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 33.3 m -58.85 163.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . 72.08 -70.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 t -51.81 -31.63 28.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -58.04 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 p -179.19 94.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -26.04 65.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -54.22 -42.51 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.66 -32.71 70.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.21 -51.77 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -62.22 -38.67 90.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.59 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.15 -27.64 69.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -33.2 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ttm -56.92 -57.49 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -29.99 21.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -76.33 -35.89 58.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -48.62 73.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.414 ' H ' HD12 ' A' ' 29' ' ' ILE . 3.6 mp -66.92 -47.49 82.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.66 -45.82 67.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -73.01 -44.09 61.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.43 78.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.07 -51.19 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -41.82 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.57 -31.99 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.98 67.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mtt -65.52 -45.86 81.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -35.27 78.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.16 -25.27 60.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.23 -6.95 59.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.82 -22.6 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.044 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -51.73 -31.16 25.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -163.57 99.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.12 130.23 49.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.44 78.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 56.64 61.02 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.32 85.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -159.89 54.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.97 -57.55 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.53 -27.53 67.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -56.7 -34.44 67.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.4 -53.98 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.55 -51.06 61.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.23 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -70.57 -37.26 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.99 65.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -65.74 -36.89 84.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.41 -54.77 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.35 -33.88 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -33.25 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.51 -36.09 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.43 -30.56 62.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -72.07 -42.62 66.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.767 HG21 HD11 ' B' ' 666' ' ' LEU . 14.3 t -64.72 -47.05 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -51.18 69.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 71' ' ' VAL . 96.9 m -55.16 -37.86 67.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 64' ' ' LYS . 34.0 mt -76.27 -37.3 57.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.7 -34.44 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.87 -44.13 21.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 67' ' ' THR . 60.4 t -62.46 -37.41 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.03 67.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.63 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 74.9 mt-30 -68.98 -34.06 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.0 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.12 -33.4 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.71 -31.21 28.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.15 -63.45 3.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.546 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.92 -44.14 82.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.12 -40.36 67.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -88.58 151.05 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 175.07 140.79 3.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.0 t -173.37 171.27 4.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.816 0.341 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -74.22 164.98 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 54.2 t -143.76 78.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.08 68.25 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.97 -28.15 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.95 158.4 44.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.61 -35.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.2 -27.61 59.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.01 -37.15 61.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.77 -63.66 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.64 175.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.38 169.61 8.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.106 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -107.52 134.6 50.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 96' ' ' GLY . 0.2 OUTLIER 61.87 168.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.41 ' H ' HG22 ' A' ' 95' ' ' THR . . . 158.29 81.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.2 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.855 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.828 0.347 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 5.8 mtp -104.48 52.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.8 -12.63 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . 0.539 ' HG3' HD13 ' B' ' 605' ' ' ILE . 28.6 pt20 -89.5 11.25 19.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.539 HD13 ' HG3' ' B' ' 604' ' ' GLN . 0.2 OUTLIER -108.55 -171.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.5 ' H ' HG22 ' B' ' 605' ' ' ILE . 2.9 ptm -64.54 93.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -135.93 104.35 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.68 -69.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.05 160.53 49.19 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.693 0.759 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.15 13.04 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -54.54 -55.37 29.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 2.5 mtt -65.28 -29.14 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.89 HD21 HG22 ' B' ' 676' ' ' THR . 1.4 tt -52.24 -59.43 4.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -148.05 177.4 26.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -148.25 -66.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -171.53 -170.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 143.19 138.5 3.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.08 49.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 33.3 mtm -80.43 -30.76 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.43 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.052 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -56.99 -56.08 26.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -73.09 -32.24 64.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.357 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.21 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.11 -25.82 18.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.426 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 51.1 m -55.56 -36.07 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.81 -47.92 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.19 -37.62 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.4 m -71.18 -32.12 68.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -50.13 68.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -47.14 54.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.525 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.36 -38.73 63.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.729 0.3 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -55.74 -43.86 76.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 50.1 mt -73.23 -32.66 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.45 -48.18 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 631' ' ' ALA . 94.4 t -56.19 -51.21 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -53.51 -37.55 62.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.426 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.7 -31.87 63.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.24 -24.65 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.36 40.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.4 mt -107.32 26.94 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . 0.426 ' NE2' HE21 ' B' ' 637' ' ' GLN . 7.3 mm-40 -52.1 -46.55 65.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.995 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.2 m -55.38 -26.47 41.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.71 -30.41 40.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -53.97 148.39 10.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -97.95 -60.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.96 -21.0 42.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.45 -25.45 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 1.7 p -66.94 -29.1 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 169.17 -114.7 0.57 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.508 ' HB ' HG11 ' A' ' 71' ' ' VAL . 62.1 mt -53.93 143.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.958 0.409 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.51 175.95 5.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.5 -39.2 91.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -73.89 -40.31 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.07 74.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -66.7 -54.06 27.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -53.33 -28.5 28.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -84.22 -54.35 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.16 -50.66 70.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -52.05 -55.88 17.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.75 -47.19 64.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -62.46 -32.57 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.16 -54.55 17.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.836 ' HA ' HD12 ' B' ' 666' ' ' LEU . 34.8 mmm -58.42 -52.38 65.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.13 -32.54 35.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.37 -51.31 21.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' B' ' 663' ' ' MET . 2.8 mt -55.01 -47.2 74.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 663' ' ' MET . 92.1 t -51.49 -51.24 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -70.58 -30.31 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -55.66 -50.06 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -61.86 -49.09 77.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -63.62 -22.12 66.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.84 -38.72 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 45.0 ttp -64.85 -44.57 89.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.75 0.58 42.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 23.7 t -52.16 -29.61 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.89 HG22 HD21 ' B' ' 613' ' ' LEU . 0.2 OUTLIER -52.34 -29.08 21.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.147 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -56.48 -24.9 49.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.32 -21.28 59.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.596 ' HB3' HD22 ' B' ' 613' ' ' LEU . . . -51.23 -30.51 17.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -55.73 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.11 -23.92 59.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.0 mtm -51.86 -30.17 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.61 -36.74 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.3 mmt 51.69 51.25 17.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -94.17 -30.74 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -89.91 -30.95 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.27 -73.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 56.99 81.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 9.6 t -106.76 -32.06 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.3 -23.1 20.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.65 -60.84 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.75 67.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.61 -25.03 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -53.96 155.32 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -122.57 125.03 44.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 140.58 125.12 2.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.553 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 59.84 93.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.89 113.04 25.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.1 mt -104.54 177.07 4.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 55.36 39.48 31.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.29 -51.08 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -156.65 80.01 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -121.79 152.52 59.2 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.711 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 85.91 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.621 2.214 . . . . 0.0 112.333 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.605 ' C ' HD22 ' A' ' 11' ' ' LEU . 12.7 pt20 -109.79 -42.82 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.605 HD22 ' C ' ' A' ' 10' ' ' GLN . 4.4 mm? -126.52 26.28 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -88.38 168.18 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 51.79 31.56 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.6 t -81.31 -33.53 32.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -66.08 -32.16 73.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.8 p -161.86 100.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.12 -25.7 12.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.544 ' CE1' HD23 ' A' ' 69' ' ' LEU . 13.9 t80 -70.4 -44.24 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.66 96.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.72 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -28.47 55.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -50.54 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.62 74.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.547 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -28.94 49.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -58.79 6.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -42.41 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -55.63 -25.87 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -78.04 -40.82 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.551 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 30.9 mm -64.98 -46.65 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.89 -28.83 73.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -35.6 73.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.93 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 -34.73 63.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -37.17 85.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -52.86 -34.0 52.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.86 -35.85 72.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.84 -36.03 71.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -45.38 87.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.29 -42.75 82.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.64 -27.86 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -7.15 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -20.89 58.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.73 -31.22 25.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.53 -52.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 63.25 29.12 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.27 33.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -67.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.11 -65.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t 63.15 38.35 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.72 -57.55 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.049 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.43 -31.07 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -69.03 -34.42 75.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.77 -54.09 47.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.06 -47.29 65.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.25 83.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -70.92 -38.53 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.0 65.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.551 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 3.4 t80 -65.26 -54.76 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.02 -32.44 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.02 -37.68 86.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.24 -37.42 38.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.3 -31.48 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -35.24 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -50.08 38.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.005 HG21 HD11 ' B' ' 666' ' ' LEU . 21.6 t -59.03 -44.45 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.12 -41.68 93.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.1 m -70.87 -32.29 69.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' B' ' 658' ' ' GLN . 64.9 mt -76.2 -26.57 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.633 HD21 HD13 ' B' ' 633' ' ' ILE . 2.4 mt -74.51 -29.64 61.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -80.07 -53.3 6.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.056 HG21 HD12 ' B' ' 650' ' ' ILE . 27.2 m -54.28 -38.04 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.79 -53.16 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.71 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 75.8 mt-30 -57.5 -33.29 67.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.13 -27.87 59.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -82.01 -43.59 17.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.77 -22.17 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.41 -78.23 0.71 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.2 -30.96 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.905 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -51.64 -29.98 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -85.04 -69.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 160.95 -36.43 0.42 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.4 t -175.61 168.5 3.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -163.5 156.49 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 84' ' ' VAL . 2.6 p -65.94 89.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.28 76.78 7.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.82 -28.21 7.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 t0 62.0 176.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.4 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.67 -25.23 59.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.3 -27.03 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.11 -37.06 66.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.11 95.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.8 p -141.3 28.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -173.99 125.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.43 -176.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.1 -86.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.55 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 119.39 -0.338 . . . . 0.0 110.872 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 60.5 72.1 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 4.6 p -115.91 -24.45 8.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.84 10.86 22.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.56 -69.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 6.6 ptm -161.81 49.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . 0.557 ' OH ' ' HB2' ' B' ' 683' ' ' ALA . 45.0 m-85 -122.88 -175.15 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.05 -73.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -126.13 93.69 43.0 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.726 0.774 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 84.34 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.339 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -76.52 -54.88 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.026 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . 0.424 ' O ' HG21 ' B' ' 676' ' ' THR . 0.5 OUTLIER -86.01 -27.15 25.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.53 148.77 49.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -136.0 -146.87 5.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -130.54 -56.18 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.84 0.352 . . . . 0.0 110.796 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -170.3 179.05 3.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 163.68 157.26 9.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -101.54 53.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 23.6 mmt -79.47 -27.92 41.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.94 65.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.046 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -66.6 -42.92 93.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.509 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -61.08 -49.64 76.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.911 0.386 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.32 -36.88 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.058 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -73.26 -24.46 75.36 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.403 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 88.3 m -55.62 -43.72 76.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.127 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.583 HD22 ' H ' ' B' ' 626' ' ' LEU . 1.2 mm? -68.87 -39.17 79.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -52.63 -45.8 66.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 23.1 t -76.17 -39.97 53.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -52.7 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.79 -35.25 90.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.442 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -56.1 -32.55 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.47 -35.68 80.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.633 HD13 HD21 ' A' ' 69' ' ' LEU . 80.0 mt -73.51 -41.52 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.14 96.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.24 -31.05 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -52.89 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.58 -26.55 63.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -86.19 -24.13 26.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 9.4 mt -96.89 24.5 6.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -51.51 -49.49 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 17.6 m -61.03 -24.76 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.13 -22.78 38.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 -51.44 147.97 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -106.35 -41.62 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 63.82 14.54 55.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.539 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -111.38 23.75 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.969 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 24.7 p -116.02 -27.97 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 159.14 -48.13 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 1.056 HD12 HG21 ' A' ' 71' ' ' VAL . 48.6 mt -105.25 141.96 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.389 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.94 167.12 11.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -59.91 -41.17 91.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.33 -42.72 58.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.56 74.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -54.46 -54.63 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -53.07 -28.78 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.53 -28.04 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.564 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.2 mt-30 -76.16 -52.56 9.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.453 ' CH2' HG13 ' A' ' 65' ' ' VAL . 58.9 t-105 -51.88 -46.68 64.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -53.15 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -58.11 -48.0 81.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.23 48.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.804 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.0 OUTLIER -52.71 -57.77 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -52.21 -33.04 39.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -68.32 -46.85 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 1.005 HD11 HG21 ' A' ' 65' ' ' VAL . 2.2 mt -61.82 -40.2 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 78.8 t -53.36 -53.01 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.69 66.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.1 -42.49 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -75.12 -51.62 13.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -58.3 -22.75 54.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -40.51 63.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -64.97 -42.9 94.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.74 0.49 43.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 3.8 t -56.28 -27.45 55.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -67.61 -12.82 61.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.112 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -53.06 -44.12 67.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -82.22 -17.09 47.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -51.13 -29.33 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -39.2 83.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -23.65 63.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 22.7 mtm -51.0 -31.19 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . 0.557 ' HB2' ' OH ' ' B' ' 607' ' ' TYR . . . -68.14 -39.38 82.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 3.4 mtp -59.09 163.92 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 17.5 ttt -91.28 -25.94 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.72 -49.4 62.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 8.8 mmt85 -63.72 -71.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.49 91.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 75.9 p -114.24 -46.57 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -89.18 -25.7 21.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.98 -36.9 48.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -49.31 -58.94 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -98.14 -57.5 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp 61.81 161.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 58.39 79.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 137.08 79.94 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.889 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.79 164.54 29.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.45 135.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.6 mt -98.84 159.23 15.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 61.13 52.11 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.15 -59.52 2.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.549 ' NE2' ' HB1' ' A' ' 17' ' ' ALA . 3.5 t60 -156.35 39.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -64.55 152.49 89.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.595 0.712 . . . . 0.0 111.183 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 86.03 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -29.02 10.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.94 38.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 17.5 m -57.89 157.92 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.089 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . 72.02 -70.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -51.95 -59.04 4.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -78.94 -25.76 43.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.11 98.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB1' ' NE2' ' A' ' 7' ' ' HIS . . . -92.49 -25.66 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -52.14 -49.54 63.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.4 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.83 -44.93 74.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -31.67 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.64 -50.21 70.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.47 -29.98 75.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.34 -25.37 60.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.558 ' HA ' HD21 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -53.2 -58.77 5.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -60.78 -39.24 88.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.09 -44.18 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.6 m -63.58 -35.56 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.548 HD12 ' HZ ' ' A' ' 58' ' ' PHE . 27.1 mm -72.92 -37.46 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.79 -40.01 95.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.52 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.58 -49.78 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.24 -27.98 62.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -32.65 69.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -51.99 -33.06 36.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.06 -32.76 59.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.73 -21.65 66.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.4 mmt -51.88 -30.35 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -55.5 -39.8 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.448 ' HB1' ' CG ' ' A' ' 51' ' ' PHE . . . -76.49 -24.71 53.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -13.06 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 44' ' ' GLN . . . -55.71 -41.7 74.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 63.47 -82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -93.31 -24.62 18.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.475 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 1.6 mt-30 -67.99 -27.4 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.14 -104.09 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -175.33 75.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.38 133.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 p -179.44 -57.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.99 -57.66 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.01 -24.79 47.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.448 ' CG ' ' HB1' ' A' ' 39' ' ' ALA . 18.3 t80 -65.07 -36.92 85.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -62.24 -54.12 45.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -55.06 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.3 95.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -61.74 -39.03 90.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.77 -30.96 66.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -64.9 -38.66 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' HZ ' HD12 ' A' ' 29' ' ' ILE . 3.4 t80 -65.87 -54.91 20.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.03 -33.63 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.32 88.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.41 -35.62 40.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 65' ' ' VAL . . . -52.93 -31.51 40.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.48 72.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.52 -52.73 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.493 ' HB ' HD11 ' B' ' 666' ' ' LEU . 7.3 p -63.23 -31.68 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.72 -51.5 33.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.757 ' O ' HG23 ' A' ' 71' ' ' VAL . 87.1 m -58.28 -52.12 66.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.7 mt -52.94 -39.7 63.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.6 -41.34 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -79.84 -32.29 40.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.782 HG11 HD12 ' B' ' 650' ' ' ILE . 53.0 t -61.97 -51.5 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.77 -44.26 63.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.599 ' HB3' ' HB3' ' A' ' 80' ' ' ALA . 79.4 mt-30 -62.92 -33.72 75.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.693 ' HB1' HG23 ' A' ' 82' ' ' THR . . . -65.57 -51.45 59.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.6 HD21 HG12 ' A' ' 71' ' ' VAL . 16.6 m-80 -66.66 -39.32 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.493 HD13 HD12 ' B' ' 640' ' ' LEU . 48.9 mt -70.72 -30.19 66.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.18 -79.83 0.63 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.85 -29.03 25.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -51.43 -65.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.599 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -160.57 179.93 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.43 162.07 2.2 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.693 HG23 ' HB1' ' A' ' 74' ' ' ALA . 94.0 m -113.98 110.82 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 85' ' ' ALA . 27.9 p90 -53.26 172.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.35 81.01 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 83' ' ' TYR . . . -85.81 64.28 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.65 -33.62 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 t70 62.37 164.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.14 172.53 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.91 -34.91 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.68 -29.93 68.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.02 -57.5 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -77.98 158.32 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.765 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.08 143.46 49.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 60.12 175.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.16 170.42 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.99 159.13 53.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.432 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.6 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.816 -179.847 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . 0.402 ' O ' HD11 ' B' ' 605' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.912 0.387 . . . . 0.0 110.808 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 81.0 mtp -81.4 -170.63 2.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.95 -59.59 0.54 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.48 -7.9 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.402 HD11 ' O ' ' B' ' 601' ' ' SER . 19.6 mm -59.94 -71.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.208 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 12.3 ptm -174.05 56.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -102.42 154.88 18.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -108.46 -71.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -126.81 160.57 58.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -16.85 37.65 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -52.28 -47.57 65.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 11.9 mtt -55.82 -47.93 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.753 HD13 ' HB1' ' B' ' 679' ' ' ALA . 0.5 OUTLIER -65.67 -72.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -110.8 148.87 17.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -134.8 110.8 9.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.829 0.347 . . . . 0.0 110.8 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 61.4 172.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -133.77 42.24 1.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -95.51 -26.7 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -44.38 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -54.42 -31.09 54.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.98 -45.83 61.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -53.59 -56.33 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.96 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.531 ' HA ' HD13 ' B' ' 626' ' ' LEU . . . -51.88 -38.28 55.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.93 -24.43 49.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -75.78 -30.97 59.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' B' ' 623' ' ' ALA . 10.7 mp -62.35 -42.17 99.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -52.84 28.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 2.6 m -59.82 -52.93 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.558 HD21 ' HA ' ' A' ' 25' ' ' MET . 15.9 tp -54.22 -52.76 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.6 -45.59 54.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.54 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.628 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 72.4 mt -73.11 -38.46 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.74 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 631' ' ' ALA . 67.2 t -76.39 -35.57 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.03 -50.6 61.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -64.75 -29.89 70.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.4 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.493 HD12 HD13 ' A' ' 76' ' ' LEU . 9.0 mt -99.83 24.58 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -56.82 -43.0 80.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -56.97 -26.03 59.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -90.04 -26.13 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -51.62 146.44 7.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 93.89 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -73.77 -2.83 61.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -66.5 -15.26 63.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.953 0.406 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 21.6 p -104.04 -30.66 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -161.55 -133.57 1.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.782 HD12 HG11 ' A' ' 71' ' ' VAL . 62.2 mt -53.73 137.66 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 111.09 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.35 160.31 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -57.17 -40.74 77.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -73.98 -42.45 60.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.71 -49.92 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -54.42 -51.18 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -51.96 -29.44 20.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.4 -27.38 20.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.22 -52.99 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -52.53 -52.76 53.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -51.63 -46.75 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -60.72 -42.63 97.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -65.46 -54.38 29.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.791 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.6 OUTLIER -51.82 -50.11 61.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -33.15 56.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -73.48 -43.35 60.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' B' ' 663' ' ' MET . 10.2 mt -59.58 -56.02 27.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . . . . . . . . . 19.7 m -55.72 -39.02 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -70.41 -35.53 73.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.3 64.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.44 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 30.5 t80 -62.74 -47.17 84.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.971 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.51 -27.29 68.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.56 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 25.1 ttp -66.92 -36.26 81.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.74 0.5 43.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 48.4 t -52.96 -29.09 26.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.39 -26.84 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -52.45 -29.64 25.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.09 -25.8 46.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.753 ' HB1' HD13 ' B' ' 613' ' ' LEU . . . -51.62 -30.02 19.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -59.44 -56.05 26.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.12 -25.11 59.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.8 mtm -51.99 -31.17 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -63.16 -53.91 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.6 43.68 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -29.59 52.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -56.51 -51.11 69.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.26 -35.92 80.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -77.52 92.86 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 81.3 p -107.58 -44.47 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.35 -22.8 20.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.48 -60.8 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.76 -24.68 67.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.86 -29.32 25.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 171.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -149.54 75.49 1.27 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 74.17 -172.53 51.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.476 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -176.04 98.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.12 161.22 28.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.94 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.39 69.91 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.37 -61.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -127.01 56.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -107.45 152.45 41.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 85.46 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.394 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -90.72 -67.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.34 20.44 14.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 m -80.05 167.09 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 17' ' ' ALA . . . 51.87 29.65 6.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -73.21 -26.58 61.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -69.95 -33.64 72.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 p -179.35 101.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . . . -114.03 -37.74 4.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -52.01 -51.81 54.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -32.87 54.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -61.83 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -33.89 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -49.11 69.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -30.48 77.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -69.27 -31.58 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.622 ' HA ' HD13 ' B' ' 629' ' ' LEU . 29.7 tpp -64.43 -58.68 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -29.15 26.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.93 -37.35 87.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.4 -41.73 93.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.526 HG13 HD21 ' B' ' 626' ' ' LEU . 5.0 mp -73.07 -47.77 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.64 -47.43 64.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -72.95 -35.78 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.933 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -32.56 72.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -51.61 -34.01 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.86 73.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.93 -15.92 60.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.5 mmt -53.89 -27.43 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 p -52.7 -40.38 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.648 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . . . -72.64 -25.34 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.68 -6.84 51.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB1' ' HB2' ' A' ' 44' ' ' GLN . . . -55.67 -57.45 11.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 51.83 24.84 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.69 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.626 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -57.77 -178.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.21 59.77 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.27 119.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.7 p -142.03 153.18 44.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.27 107.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.33 -52.9 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.25 -29.33 22.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.648 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 2.7 t80 -56.92 -37.55 71.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -55.9 -54.07 49.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.37 -31.42 22.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.19 -36.97 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -66.14 -35.54 80.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.01 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -63.53 -42.09 98.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.3 t80 -62.47 -54.69 36.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -60.63 -32.77 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -35.07 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.29 -39.27 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.59 -33.26 31.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.55 -32.44 65.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 5.5 tmtp? -74.53 -39.95 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.851 HG21 HD22 ' B' ' 666' ' ' LEU . 20.1 t -70.72 -44.81 76.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.82 -49.69 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 m -59.25 -35.13 73.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.7 mt -73.45 -43.13 60.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.82 -44.43 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -64.95 -43.23 93.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 67' ' ' THR . 99.6 t -65.93 -32.99 60.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.05 72.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.575 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 81.9 mt-30 -71.65 -36.91 70.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.46 88.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -73.14 -42.33 62.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.435 HD13 HD12 ' B' ' 640' ' ' LEU . 99.0 mt -71.34 -30.08 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.83 -73.22 1.48 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.548 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -30.2 24.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -56.84 -39.31 74.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -117.16 -73.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.18 162.93 9.54 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 m -56.21 121.97 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -114.69 160.0 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 84' ' ' VAL . 4.0 p -131.16 81.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.62 59.45 1.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.91 82.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.92 170.56 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.12 172.21 12.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.75 62.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.13 -34.15 65.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.98 85.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.041 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -158.12 121.96 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.62 -58.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -172.28 -174.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.15 108.89 14.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.167 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.37 169.41 14.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 119.379 -0.343 . . . . 0.0 110.846 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 4.1 mtp -132.02 55.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 1.2 t -111.33 -13.31 13.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . 0.429 ' HG3' HD13 ' B' ' 605' ' ' ILE . 7.0 pt20 -89.58 11.31 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.512 HG22 ' H ' ' B' ' 606' ' ' MET . 0.3 OUTLIER -107.98 -174.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.512 ' H ' HG22 ' B' ' 605' ' ' ILE . 4.7 ptp -65.01 104.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -141.45 -73.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 60.5 26.36 15.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . 0.431 ' HA ' ' HD2' ' B' ' 610' ' ' PRO . 0.2 OUTLIER -130.39 93.53 32.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.92 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 609' ' ' TYR . 53.5 Cg_endo -69.74 -39.36 6.64 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -58.76 -55.24 37.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.47 -39.85 95.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 35.1 tp -71.4 102.2 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 86.84 119.17 1.18 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.433 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -175.33 105.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -144.8 129.39 18.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -103.28 -82.44 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -134.26 32.5 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -28.91 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.81 -33.31 48.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.9 -31.67 55.23 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -62.01 -42.36 99.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.503 ' O ' HG13 ' B' ' 667' ' ' VAL . . . -57.02 -50.62 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -63.92 -26.03 69.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.469 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 25.4 m -56.81 -43.87 81.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 111.199 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 666' ' ' LEU . 6.6 mp -68.37 -47.4 67.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . 0.624 ' CG ' HG21 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -52.93 -51.89 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 -33.37 71.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.622 HD13 ' HA ' ' A' ' 25' ' ' MET . 1.1 tt -74.35 -33.91 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.67 -49.13 67.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.684 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -55.99 -36.85 68.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.37 -44.47 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 62.6 mt -73.16 -39.59 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.14 -32.26 71.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.069 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 631' ' ' ALA . 89.5 t -77.15 -32.66 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -65.53 -52.49 52.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -62.57 -29.66 70.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.93 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.55 -25.03 36.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 76' ' ' LEU . 7.9 mt -107.05 25.99 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -52.12 -51.44 57.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -26.22 43.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' B' ' 640' ' ' LEU . . . -76.33 -31.68 58.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -52.09 148.53 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.11 -72.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.4 -17.88 52.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -95.9 26.16 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 30.9 p -119.22 -30.32 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.22 -83.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 59.9 mt -88.03 143.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.7 175.5 5.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -66.84 -38.67 86.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -73.67 -40.25 63.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . 0.678 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -71.37 -41.89 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -63.09 -40.38 97.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.25 -55.98 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.23 -43.93 80.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.678 HE21 ' HB1' ' B' ' 654' ' ' ALA . 50.8 mt-30 -56.16 -51.79 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -52.03 -59.15 4.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -52.1 -46.0 65.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -63.01 -29.16 70.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.58 -54.48 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.734 ' O ' HG23 ' B' ' 667' ' ' VAL . 83.8 mmm -56.88 -38.77 73.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -55.4 -56.14 23.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.83 -28.36 64.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.851 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.68 -37.1 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 663' ' ' MET . 54.8 t -72.19 -49.7 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -59.36 -30.64 68.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.12 -30.48 62.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -85.75 -37.4 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.85 -18.58 61.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.52 63.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 11.8 ptp -59.88 -32.13 70.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 1.3 m -80.91 -19.96 43.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 4.0 p -56.07 -25.5 45.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.805 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -66.77 -13.41 61.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -52.77 -43.97 66.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -82.23 -17.17 47.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -51.37 -28.96 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -68.09 -39.15 82.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 5.1 m -59.91 -23.61 63.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 21.4 mtm -50.97 -31.17 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.03 20.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.86 63.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -25.62 63.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.74 -34.08 37.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -36.11 77.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.73 87.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 24.4 p -117.62 -38.98 3.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.31 -22.36 20.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.13 -60.83 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.29 -24.76 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.79 -25.09 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.66 -48.84 66.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -110.56 176.56 4.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 91.94 61.66 1.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.509 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -158.52 165.9 33.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.91 -45.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.11 114.96 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 t70 58.46 55.9 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.88 -37.03 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -167.42 74.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 pt -121.36 152.46 57.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.68 0.752 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -165.09 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.75 2.3 . . . . 0.0 112.304 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.534 ' H ' HG13 ' A' ' 12' ' ' VAL . 1.2 tt0 179.74 119.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mp 57.45 25.57 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.534 HG13 ' H ' ' A' ' 10' ' ' GLN . 28.5 m -88.95 -27.47 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.04 38.51 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.8 t -56.31 -29.39 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -69.69 -25.8 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.23 95.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.46 -25.85 24.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -52.05 -50.73 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.17 -46.37 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.06 88.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -43.32 77.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.46 70.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 -32.26 83.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.414 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -26.8 59.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.414 ' O ' HD12 ' A' ' 29' ' ' ILE . 41.5 tpp -60.72 -58.71 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -55.55 -26.1 41.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -68.5 -32.01 71.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -69.66 -41.72 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 29' ' ' ILE . 5.2 mp -73.15 -50.9 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.42 68.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -72.87 -34.13 66.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.34 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.74 -32.67 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -51.73 -34.8 40.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.62 70.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.21 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.42 56.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.4 mmt -52.14 -29.58 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 p -51.92 -42.04 62.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.51 -25.64 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -66.99 -15.0 63.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.84 -56.95 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 62.24 -83.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -96.25 24.44 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -136.56 25.59 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.29 -76.16 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -135.38 152.12 51.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -114.79 161.86 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.8 p -179.26 112.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.16 -43.15 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.81 -26.97 38.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -57.89 -34.83 70.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.56 -54.07 50.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.47 -43.94 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.74 -42.15 86.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -61.01 -42.91 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.92 66.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -66.85 -33.54 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.4 t80 -70.81 -54.99 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.05 -34.17 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.06 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -37.63 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.54 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.33 96.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -61.68 -52.76 62.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.07 -31.42 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.94 -53.71 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.0 m -54.12 -47.02 72.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' B' ' 650' ' ' ILE . 77.6 mt -61.84 -39.66 92.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.34 -45.46 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.76 -48.8 62.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 67' ' ' THR . 75.2 t -54.47 -33.09 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -50.1 75.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.638 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 25.8 mt-30 -67.22 -35.78 80.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.55 77.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.26 -37.23 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.9 mt -74.66 -30.23 61.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 -76.94 0.94 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.416 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.33 -30.48 28.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -55.28 -32.67 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -119.28 -72.79 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.65 168.61 21.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -100.13 170.34 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.726 0.298 . . . . 0.0 111.161 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' ' 85' ' ' ALA . 46.7 p90 -131.87 173.65 10.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.5 t -79.06 84.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.531 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . . . -88.04 53.5 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.93 -42.92 47.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 57.12 -175.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.57 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.96 75.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.51 -37.15 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.89 -53.14 43.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.4 142.92 30.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.72 160.33 43.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.162 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -55.97 161.08 2.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.49 162.2 35.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.67 131.12 10.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.904 -179.881 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.846 0.355 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 55.9 mtp -147.93 -174.24 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.28 -61.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.877 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -11.08 44.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.734 HG22 ' HG2' ' B' ' 606' ' ' MET . 18.6 mm -51.09 -72.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.734 ' HG2' HG22 ' B' ' 605' ' ' ILE . 16.4 ptp 179.99 46.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -120.46 70.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.43 -55.36 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -127.69 160.52 60.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.737 0.78 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -24.67 29.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.401 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.28 73.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 16.2 ptp -92.12 16.25 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.797 HD13 ' HB1' ' B' ' 679' ' ' ALA . 0.5 OUTLIER -132.69 137.8 47.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 151.28 -126.87 2.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 6.5 m170 58.97 93.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -165.31 -179.89 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -160.35 -124.16 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -109.03 62.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.31 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.33 -32.86 29.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . 0.409 ' HB2' ' HE1' ' B' ' 671' ' ' HIS . . . -53.09 -37.5 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.6 -34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.448 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -70.19 -56.38 6.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.616 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -51.6 -42.61 62.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.086 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -57.85 -24.41 53.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 15.5 m -66.0 -45.6 80.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.773 HD13 HD11 ' B' ' 666' ' ' LEU . 17.6 mt -68.14 -36.57 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.97 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 10.4 t -73.57 -53.19 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -32.6 65.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.11 -48.72 77.47 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -64.12 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -55.94 -41.02 74.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 75.9 mt -73.16 -36.51 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -67.94 -29.1 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 631' ' ' ALA . 91.7 t -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -67.58 -51.83 45.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -64.5 -29.79 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.16 67.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.21 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.73 25.61 9.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -52.01 -48.2 64.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 2.3 m -57.91 -26.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.15 59.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -52.01 150.2 4.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -93.39 -66.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.6 -29.52 12.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -97.99 25.33 6.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.969 0.414 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 81.2 p -126.87 24.46 6.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.75 -106.12 0.9 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.431 ' CD1' HD23 ' A' ' 68' ' ' LEU . 59.6 mt -79.38 143.84 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.159 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . 0.407 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -99.21 173.57 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . 0.407 ' H ' HG22 ' B' ' 651' ' ' THR . 55.9 p90 -65.29 -38.66 90.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -73.47 -42.53 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . 0.518 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.52 -44.03 75.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -60.36 -41.9 94.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -57.39 -55.85 29.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -64.56 -45.25 87.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.518 HE21 ' HB1' ' B' ' 654' ' ' ALA . 46.7 mt-30 -56.25 -52.85 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -53.51 -55.85 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -51.53 -44.47 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -65.19 -32.7 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -73.76 -55.14 6.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.66 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.5 OUTLIER -57.42 -40.82 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.43 -55.8 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -69.03 -28.48 66.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.773 HD11 HD13 ' B' ' 626' ' ' LEU . 0.1 OUTLIER -69.15 -35.45 76.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.66 HG23 ' O ' ' B' ' 663' ' ' MET . 72.3 t -66.33 -52.08 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -68.2 -30.49 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.85 46.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.616 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 82.8 t80 -85.77 -57.92 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . 0.409 ' HE1' ' HB2' ' B' ' 620' ' ' ALA . 8.6 t60 -58.53 -22.04 54.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.89 -30.68 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.18 -48.94 63.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 11.0 t -82.64 0.54 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 23.5 t -55.38 -26.22 40.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.484 HG22 ' CD2' ' B' ' 613' ' ' LEU . 1.5 m -53.09 -28.05 23.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.158 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -54.55 -27.1 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.39 -23.75 51.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.797 ' HB1' HD13 ' B' ' 613' ' ' LEU . . . -51.51 -30.0 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -56.37 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 5.0 t -74.08 -24.36 59.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.154 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 10.1 mtm -52.03 -30.0 23.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.7 -68.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.2 ttt 52.1 44.05 29.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.7 mtp -79.13 -41.76 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -64.08 -48.15 77.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -26.54 66.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.53 97.58 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 13.5 p -128.1 -73.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.5 67.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.99 -60.87 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.36 -24.74 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.33 -24.83 27.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.85 -179.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -174.93 96.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 132.01 -144.97 16.77 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.472 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -162.75 -47.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.82 164.69 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.28 104.83 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.09 74.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -114.17 -61.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -125.08 58.63 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 pt -113.66 152.42 45.45 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.611 0.72 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 86.58 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.234 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.05 152.36 41.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mp 57.68 24.23 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.0 m -89.57 167.72 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . 51.9 29.58 6.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.0 t -74.19 -26.18 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.806 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -52.01 -30.03 23.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -82.28 125.52 31.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.33 -28.83 67.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.583 ' CD1' ' HB1' ' A' ' 79' ' ' ALA . 21.7 t80 -74.55 -51.7 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -58.55 -34.37 70.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.44 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -35.09 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -49.4 69.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.15 -37.43 94.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.412 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.607 ' HB3' HD11 ' B' ' 629' ' ' LEU . 1.9 mm? -60.6 -36.85 79.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.357 . . . . 0.0 110.892 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.483 ' HA ' HD13 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -60.21 -58.34 8.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -54.18 -27.37 33.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -69.24 -43.67 73.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -60.93 -47.76 84.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 4.4 mp -71.71 -47.07 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.98 -46.56 76.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -73.0 -43.33 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.8 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -68.3 -50.88 50.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -53.76 -34.17 58.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.38 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.45 92.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.0 mtt -58.47 -52.17 66.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -57.98 8.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -26.07 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.19 -7.06 59.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.71 -29.28 69.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -51.88 136.56 28.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.0 m170 52.09 36.1 18.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 107.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.23 45.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.5 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t 62.66 171.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 t -128.4 167.58 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.08 -42.93 16.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.46 -41.27 69.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -69.72 -34.6 74.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.21 -54.05 49.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.94 -48.63 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -68.11 -41.98 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.86 -30.82 67.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -67.15 -33.74 76.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 93.1 t80 -70.76 -54.82 10.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 p -54.9 -33.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.09 97.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' B' ' 666' ' ' LEU . . . -79.22 -35.69 41.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.87 58.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.67 70.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -72.85 -52.6 14.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG11 HD13 ' B' ' 666' ' ' LEU . 7.4 p -62.75 -31.68 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.89 -53.62 12.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -56.08 -40.41 73.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.448 ' HA ' HG22 ' A' ' 71' ' ' VAL . 79.7 mt -67.43 -26.58 66.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.87 -30.12 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.36 -51.57 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.817 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.84 HG21 HD12 ' B' ' 650' ' ' ILE . 31.7 m -58.42 -32.91 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.26 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.683 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 39.9 mt-30 -71.64 -34.06 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.26 -30.91 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -80.88 -43.36 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.441 HD13 HD12 ' B' ' 640' ' ' LEU . 68.8 mt -75.66 -25.22 56.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.98 -71.37 1.95 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.581 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -52.23 -38.91 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.683 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -58.23 -30.78 66.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -93.71 163.04 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.3 -29.59 3.4 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.3 m -65.87 139.31 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.036 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -104.6 165.66 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.3 t -143.5 78.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.145 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.02 68.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.58 -25.93 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -118.86 87.01 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.75 -176.1 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -83.95 -25.51 30.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.48 15.05 13.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.59 -52.88 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.1 t -108.99 -55.66 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.03 169.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.183 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 61.49 175.36 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.71 161.39 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.174 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -91.07 51.61 3.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.897 0.38 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 4.3 mtp -126.26 62.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 8.2 p -120.48 -18.4 7.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.97 10.84 29.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.826 HG22 ' HG2' ' B' ' 606' ' ' MET . 27.2 mm -75.89 -70.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.826 ' HG2' HG22 ' B' ' 605' ' ' ILE . 0.7 OUTLIER -170.09 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 50.96 -169.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.958 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -135.62 -176.19 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -58.32 160.42 9.5 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.67 0.748 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.54 35.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.291 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.07 -33.02 70.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 1.5 mtt -91.88 -55.26 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.817 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.928 HD11 ' HB1' ' B' ' 679' ' ' ALA . 1.3 tp -68.33 -67.74 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . 0.429 ' O ' HG21 ' B' ' 676' ' ' THR . . . 137.0 79.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 71.4 -70.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . 0.661 ' HB2' ' CD2' ' B' ' 613' ' ' LEU . . . 63.91 158.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 132.66 146.47 5.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.53 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -89.34 56.7 3.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -23.84 35.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' B' ' 674' ' ' SER . . . -52.22 -31.2 30.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -55.35 -31.99 57.24 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.531 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -72.27 -33.37 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.7 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -51.57 -38.88 56.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.16 -24.44 36.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.414 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 5.7 m -62.27 -40.24 95.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.653 HD13 HD21 ' B' ' 666' ' ' LEU . 86.3 mt -68.17 -37.58 81.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.28 -39.0 89.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.0 t -75.8 -53.13 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.92 -41.19 95.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.02 -39.99 50.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.79 79.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.79 -40.06 72.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 76.1 mt -73.34 -32.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.92 -53.48 31.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.4 -40.81 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.12 -39.65 90.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.582 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.71 -31.6 63.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.22 -24.55 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.24 -24.01 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 76' ' ' LEU . 10.3 mt -109.35 28.51 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . 0.582 ' NE2' HE21 ' B' ' 637' ' ' GLN . 6.7 mm-40 -55.53 -47.37 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 12.0 p -55.4 -26.32 40.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.17 -30.98 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -53.28 144.58 15.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.07 -64.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 98.27 -19.67 53.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -97.77 26.96 4.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 23.2 p -119.27 -30.37 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.202 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.63 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.84 HD12 HG21 ' A' ' 71' ' ' VAL . 58.8 mt -75.03 142.21 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.98 171.57 8.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -73.62 -41.31 62.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.27 74.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -60.28 -42.23 95.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -55.85 -55.95 26.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.52 89.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.7 mt-30 -56.14 -52.47 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 69.9 t-105 -51.96 -56.3 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.37 -48.46 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -60.43 -33.41 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -68.05 -54.6 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.588 ' O ' HG22 ' B' ' 667' ' ' VAL . 74.7 mmm -61.08 -32.58 72.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.13 -56.36 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -75.49 -28.01 59.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.653 HD21 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -67.08 -48.8 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.936 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 663' ' ' MET . 14.8 m -73.49 -30.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -70.3 -40.52 74.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.22 -52.14 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.7 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 38.5 t80 -59.61 -32.5 70.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -66.43 -25.78 66.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.933 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.46 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -68.79 -32.01 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . 0.62 ' HB2' ' HB2' ' B' ' 620' ' ' ALA . 0.7 OUTLIER -82.59 0.52 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 5.8 t -64.08 -15.57 59.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.429 HG21 ' O ' ' B' ' 614' ' ' GLY . 0.4 OUTLIER -56.22 -23.03 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.115 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -53.29 -27.82 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.7 -21.54 55.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.928 ' HB1' HD11 ' B' ' 613' ' ' LEU . . . -51.17 -30.3 16.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -53.19 -54.9 29.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 43.3 p -74.22 -29.53 61.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 12.1 mtm -52.62 -29.38 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.68 -36.05 45.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.71 45.72 1.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 9.9 ttt -89.0 -26.48 21.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.34 -34.71 48.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.167 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -76.0 -29.61 58.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -98.09 89.52 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 31.1 p -107.31 -39.28 5.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.27 -22.4 20.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.17 -60.85 2.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.27 -24.62 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.01 -25.26 26.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -43.53 75.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -99.51 166.3 11.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 162.5 173.8 31.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.446 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.527 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.755 0.312 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.73 149.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -178.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.48 26.35 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -159.14 26.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.13 -37.4 4.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -139.37 34.27 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.2 pt -66.79 152.51 95.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.586 0.708 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 78.58 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' HG3' HD22 ' A' ' 11' ' ' LEU . 8.4 tp-100 -100.25 -41.84 6.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD22 ' HG3' ' A' ' 10' ' ' GLN . 4.3 mm? -93.34 61.9 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 t -81.18 -68.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.88 46.38 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -52.16 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.1 -26.03 31.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t 63.06 101.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.18 -25.56 11.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -52.0 -51.74 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.54 -43.81 68.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.96 63.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -76.73 -40.98 46.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -37.32 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.27 -48.53 37.81 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.887 HD23 HD11 ' B' ' 629' ' ' LEU . 2.4 tp -61.11 -26.24 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -58.63 7.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -53.2 -28.66 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -73.77 -33.91 64.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.597 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.5 OUTLIER -67.42 -46.79 72.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.451 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.5 mp -73.01 -46.02 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.62 -41.69 65.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -37.55 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.89 -27.75 65.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -70.67 -32.69 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.91 -34.0 39.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.83 -41.36 78.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.33 -23.86 51.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.9 mmt -51.9 -30.15 22.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.9 m -52.03 -51.6 56.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.39 -27.53 66.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.88 -12.87 61.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 44' ' ' GLN . . . -55.74 -42.08 74.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 63.52 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -92.58 -25.48 18.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 4.8 mp0 -65.56 -26.99 68.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.67 -72.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.48 151.08 43.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 t -109.04 -74.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.79 98.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.55 -34.52 58.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.96 -27.11 41.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -59.27 -34.8 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -59.37 -54.11 50.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.37 55.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.02 96.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -63.13 -42.94 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -31.05 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 3.5 t80 -63.72 -54.77 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -59.78 -33.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.51 77.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.26 -35.17 41.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.09 -36.99 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.57 -29.27 61.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -74.61 -44.34 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.884 HG21 HD22 ' B' ' 666' ' ' LEU . 20.8 t -69.8 -41.26 79.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -66.68 -47.91 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -63.7 -33.14 74.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.431 ' HA ' HG22 ' A' ' 71' ' ' VAL . 40.8 mt -76.2 -27.68 56.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 69' ' ' LEU . 4.7 mt -72.27 -30.12 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -49.0 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.839 HG21 HD12 ' B' ' 650' ' ' ILE . 30.7 m -61.07 -32.84 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.86 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.562 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 64.0 mt-30 -71.63 -33.96 69.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.42 -52.63 25.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -57.13 -35.87 70.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.36 -25.6 33.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.33 -71.56 1.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -46.58 65.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.25 -27.23 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.52 -64.59 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.21 -175.12 34.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.429 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 m 64.97 153.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.2 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -110.75 165.82 11.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.952 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.5 t -143.56 78.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.08 68.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.08 -28.19 13.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 55.88 90.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.01 -33.31 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.06 -26.4 49.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.86 -42.63 80.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.43 -27.59 67.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 t -80.36 158.68 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -53.39 153.9 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 61.01 171.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.72 100.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.06 135.18 12.68 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.948 -179.888 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.77 71.89 8.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 2.5 p -116.05 -24.43 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -89.92 10.89 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.6 -69.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 4.1 ptm -162.58 51.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -123.15 84.48 2.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.01 -55.82 8.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . 0.412 ' HA ' ' HD2' ' B' ' 610' ' ' PRO . 69.9 m-85 -130.21 93.68 32.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 609' ' ' TYR . 52.8 Cg_endo -69.88 -15.8 36.8 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.648 2.232 . . . . 0.0 112.265 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.93 -30.29 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.86 -32.48 16.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.576 ' O ' HG21 ' B' ' 676' ' ' THR . 1.3 mm? -69.24 -74.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 137.09 -104.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.435 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -173.99 167.44 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -173.08 -177.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 179.15 177.33 47.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -78.78 -26.02 44.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.801 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 53.9 mtp -53.88 -28.29 35.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -51.98 -29.73 21.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -51.78 -29.47 26.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -50.64 -32.03 17.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.369 . . . . 0.0 110.899 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -50.96 -32.85 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.69 -24.07 31.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 90.1 m -55.26 -32.89 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 111.128 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.467 HD12 HG22 ' A' ' 28' ' ' THR . 11.2 mp -68.27 -43.38 77.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . 0.782 ' HB2' HG11 ' B' ' 667' ' ' VAL . 3.3 tt0 -69.91 -48.9 56.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 30.9 t -56.37 -51.7 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.887 HD11 HD23 ' A' ' 24' ' ' LEU . 4.1 tt -54.51 -36.07 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -55.27 -42.11 81.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.25 65.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.315 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -55.99 -39.17 71.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.34 -33.26 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.24 76.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.41 -31.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.07 -52.83 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -65.96 -29.72 70.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.7 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.55 -24.17 34.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -106.97 28.31 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -61.27 -46.06 91.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.9 p -55.46 -26.35 41.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -80.5 -26.45 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -53.29 147.83 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -95.18 -72.03 0.64 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.9 -19.66 43.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.02 26.21 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.2 p -118.92 -29.76 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.54 -88.22 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.839 HD12 HG21 ' A' ' 71' ' ' VAL . 60.1 mt -84.34 143.69 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.51 174.1 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.05 -38.84 92.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -73.75 -42.57 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . 0.665 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.23 -42.38 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -62.0 -40.92 97.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -55.98 26.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.07 71.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.665 HE21 ' HB1' ' B' ' 654' ' ' ALA . 61.9 mt-30 -56.11 -48.71 75.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -51.96 -59.28 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -52.3 -54.27 33.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -56.88 -27.39 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -74.54 -54.59 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.441 ' HB3' ' HE3' ' B' ' 663' ' ' MET . 75.5 mmm -57.85 -35.54 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -58.56 -56.01 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.72 -27.71 63.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.884 HD22 HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -63.81 -47.88 79.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.782 HG11 ' HB2' ' B' ' 627' ' ' GLN . 22.7 m -73.99 -30.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -67.08 -31.06 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.77 -51.74 67.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.06 -40.05 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -21.23 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -52.92 -38.56 62.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.081 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 46.8 ttp -66.04 -38.18 87.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.72 0.61 42.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 4.9 t -57.95 -23.3 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.8 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.576 HG21 ' O ' ' B' ' 613' ' ' LEU . 0.3 OUTLIER -65.21 -14.62 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.201 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -63.52 -47.41 81.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . 0.684 ' O ' HG22 ' B' ' 681' ' ' THR . 4.8 mm-40 -81.7 -17.73 46.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.669 ' HB1' ' CE ' ' B' ' 682' ' ' MET . . . -55.88 -24.26 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -51.3 -41.48 60.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . 0.684 HG22 ' O ' ' B' ' 678' ' ' GLU . 14.1 t -55.37 -30.96 61.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . 0.669 ' CE ' ' HB1' ' B' ' 679' ' ' ALA . 67.6 mtm -52.81 -30.12 31.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -52.03 -30.09 23.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.81 103.38 13.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 12.3 mtm -54.79 -27.28 40.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.3 -66.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -60.81 -31.54 70.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.69 87.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.3 t -136.47 -41.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.29 -22.78 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.31 -60.85 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.92 -24.72 67.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.92 -25.27 28.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -35.42 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 52.62 84.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 130.92 166.91 11.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.908 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 mtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -159.03 116.04 2.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.44 106.41 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.6 mt -101.69 73.0 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -167.89 62.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.72 -58.25 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -160.47 26.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 pt -95.14 152.54 39.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 111.097 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 85.12 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.84 150.99 38.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.31 26.7 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.4 m -73.39 167.93 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.69 28.05 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 t -83.59 -32.01 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.788 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -51.98 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.22 101.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.9 -34.11 6.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -77.38 -35.42 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.01 -32.34 70.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.81 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -65.22 -38.11 89.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.38 -47.04 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.93 -50.11 54.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -32.36 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.68 ' HE3' HD12 ' B' ' 629' ' ' LEU . 0.7 OUTLIER -53.06 -58.78 5.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.761 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -53.79 -31.45 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -75.37 -36.22 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -46.16 76.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.8 mp -73.24 -52.6 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.51 -45.17 67.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.16 -35.71 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -46.34 82.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.25 -37.07 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.837 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -52.02 -33.85 40.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.86 -47.99 76.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.64 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -58.18 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -38.55 65.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.66 -29.36 64.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.059 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.12 -6.92 59.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -22.62 48.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -51.71 -31.57 26.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -175.2 94.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.05 98.78 11.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.91 -138.97 9.36 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -137.48 26.31 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.924 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 p -124.32 118.44 26.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.9 m -147.67 56.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.2 -57.37 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.24 51.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -67.41 -34.48 77.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.89 -54.15 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -32.15 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.77 -33.79 52.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -71.74 -34.67 69.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.89 65.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -64.99 -38.81 92.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.447 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -65.72 -54.77 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.3 -33.3 47.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.05 -39.69 90.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -33.42 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.62 -36.54 46.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.75 -30.95 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.5 OUTLIER -74.51 -46.95 35.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.909 HG21 HD22 ' B' ' 666' ' ' LEU . 20.6 t -66.18 -39.6 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -47.56 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.74 -34.18 77.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' B' ' 658' ' ' GLN . 51.8 mt -76.25 -27.1 56.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.479 HD11 ' SD ' ' A' ' 25' ' ' MET . 8.2 mt -72.66 -30.15 64.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -79.34 -52.34 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.968 HG21 HD12 ' B' ' 650' ' ' ILE . 33.1 m -58.76 -33.01 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.49 -50.1 74.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.652 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 31.0 mt-30 -71.68 -34.13 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.19 -36.63 77.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -80.99 -40.58 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.496 HD13 HD12 ' B' ' 640' ' ' LEU . 54.3 mt -72.78 -30.47 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.95 -72.46 1.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -52.08 -36.39 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -52.11 -57.64 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 73' ' ' GLN . . . -177.83 154.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -83.53 -155.55 20.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -166.98 170.13 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -84.76 -170.69 3.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.0 t -83.48 83.6 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.64 56.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.71 -28.52 60.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -121.66 89.76 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.2 -33.39 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.39 -26.07 64.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.08 -50.31 16.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.91 69.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m -165.18 153.83 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.83 176.79 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -57.49 174.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.994 0.426 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 p -136.55 136.02 38.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.9 86.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 119.413 -0.327 . . . . 0.0 110.881 -179.896 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.841 0.353 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 21.5 mtp -140.46 51.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.96 -12.02 13.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . 0.533 ' HG3' HD13 ' B' ' 605' ' ' ILE . 14.6 pt20 -89.65 11.22 20.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.533 HD13 ' HG3' ' B' ' 604' ' ' GLN . 0.2 OUTLIER -108.82 -171.18 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.483 ' H ' HG22 ' B' ' 605' ' ' ILE . 10.5 ptp -63.98 109.78 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -154.62 60.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -124.11 -38.04 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -111.59 160.61 28.85 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.723 0.773 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -32.96 17.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.737 2.292 . . . . 0.0 112.316 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.35 64.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 9.1 mmt -82.9 -36.55 25.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' B' ' 680' ' ' ASN . 1.3 tt -65.81 -59.55 3.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 176.1 118.94 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -179.22 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' B' ' 677' ' ' HIS . . . -143.02 -175.73 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 173.91 -145.16 8.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.448 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.93 41.56 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.795 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 6.5 ptm -80.9 -26.77 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -54.26 -31.73 54.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.1 -42.29 61.62 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.424 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -64.24 -37.39 87.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -59.32 -33.09 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -70.12 -27.74 72.53 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -55.69 -36.74 67.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.339 . . . . 0.0 111.13 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.14 -36.38 79.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -46.9 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -30.49 58.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.68 HD12 ' HE3' ' A' ' 25' ' ' MET . 0.6 OUTLIER -67.37 -38.09 84.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -66.14 -47.12 75.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.31 -38.37 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -44.01 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 4.1 mt -73.26 -37.22 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -61.4 -49.73 75.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 631' ' ' ALA . 97.3 t -56.78 -51.38 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.59 -37.17 62.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.603 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.79 -31.9 63.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.47 -24.66 59.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.42 -25.16 33.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.496 HD12 HD13 ' A' ' 76' ' ' LEU . 10.7 mt -108.1 31.66 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . 0.603 ' NE2' HE21 ' B' ' 637' ' ' GLN . 7.9 mm-40 -59.01 -48.79 80.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.2 m -55.67 -25.98 42.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.61 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.039 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -52.15 147.04 8.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -94.33 -71.19 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.91 -19.87 40.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.413 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.11 25.95 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 14.0 p -119.79 -30.96 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 171.84 -98.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.572 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.968 HD12 HG21 ' A' ' 71' ' ' VAL . 58.1 mt -74.07 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.56 172.13 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -64.62 -38.87 92.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.76 -41.22 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.96 -43.8 74.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -61.52 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . 0.429 ' NE2' HE22 ' B' ' 637' ' ' GLN . 3.8 mm-40 -53.06 -55.89 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -67.96 -41.85 81.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.448 ' HB3' HD11 ' A' ' 68' ' ' LEU . 21.1 mt-30 -56.23 -44.12 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -64.36 -56.4 14.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -51.07 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -59.71 -46.41 89.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -59.55 -54.48 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.732 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -54.53 -42.63 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.895 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -52.26 -55.85 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.13 -28.48 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.909 HD22 HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -66.23 -36.84 84.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 663' ' ' MET . 40.6 t -73.49 -51.38 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -57.88 -30.73 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.62 51.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.69 -54.51 4.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -55.95 -25.48 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.72 63.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.9 -37.25 81.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 2.4 t -82.75 -22.85 34.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 1.2 p -55.83 -25.99 44.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.762 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -65.86 -14.24 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . 0.496 ' HB2' ' HB2' ' B' ' 616' ' ' ALA . 2.2 t60 -51.41 -43.38 61.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.7 -17.03 49.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -56.45 -22.73 34.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . 0.515 ' HA ' HD13 ' B' ' 613' ' ' LEU . 24.1 t30 -56.41 -70.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 3.1 p -54.95 -35.39 64.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.6 ttp -51.85 -30.24 22.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.04 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.97 150.8 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 30.7 mtp -87.29 -25.91 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.9 -44.26 63.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 8.7 mmt-85 -77.71 -57.51 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 57.45 88.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 20.0 p -117.3 -62.02 1.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -73.88 -29.89 62.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.065 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.02 -37.36 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -49.1 -56.96 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -98.06 -57.22 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 3.3 tttm 49.39 -167.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -112.63 135.88 52.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -93.04 135.23 12.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.877 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.4 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.45 144.3 28.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.39 124.9 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mp -132.97 27.14 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.62 31.6 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.5 -61.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -116.45 67.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 pt -109.7 152.43 42.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.308 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.527 ' H ' HG13 ' A' ' 12' ' ' VAL . 1.2 tt0 179.64 122.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 56.33 25.99 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.527 HG13 ' H ' ' A' ' 10' ' ' GLN . 26.1 m -90.5 -28.93 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.15 42.19 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.0 t -59.49 -31.54 69.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -58.87 -42.62 89.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.63 99.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.77 -29.5 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 72' ' ' ALA . 74.4 t80 -73.93 -41.51 61.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.23 67.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.205 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.73 -51.87 64.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -76.7 -27.13 55.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.73 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.84 -27.17 73.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -27.63 61.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -58.71 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -57.89 -25.69 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -72.35 -41.26 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -59.76 -49.12 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.631 HG13 HD21 ' B' ' 626' ' ' LEU . 4.8 mp -73.08 -46.52 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -45.72 68.13 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.96 -34.29 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -67.33 -34.71 77.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -60.52 -33.99 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.47 -34.01 65.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.54 -28.78 65.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.493 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.6 mtt -82.21 -39.6 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.6 p -69.34 -41.4 76.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.77 -36.71 67.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -85.17 -8.29 58.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 37' ' ' MET . . . -66.95 -22.93 65.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.56 136.4 26.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.9 m170 52.0 31.22 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -144.98 -74.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.59 -19.67 52.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.04 174.49 10.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.81 157.84 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -108.43 175.24 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.05 -57.56 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.35 85.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -61.79 -34.38 75.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -56.17 -54.04 49.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.38 34.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HB1' ' CG ' ' B' ' 673' ' ' MET . . . -78.13 -36.67 47.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -65.16 -35.48 81.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.47 -30.93 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -65.91 -36.9 84.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -67.65 -54.91 15.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.78 -33.76 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.63 -41.88 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.32 -36.63 39.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.79 -34.48 53.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.085 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.52 -29.06 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 4.3 tmtp? -73.56 -48.59 31.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.965 HG21 HD22 ' B' ' 666' ' ' LEU . 21.3 t -68.63 -36.61 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -46.46 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 71' ' ' VAL . 96.7 m -64.92 -52.03 58.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.7 mt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD21 HD13 ' B' ' 633' ' ' ILE . 5.5 mt -57.04 -40.69 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -79.67 -34.69 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 67' ' ' THR . 58.2 t -61.36 -43.48 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . . . -51.77 -43.79 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.651 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 68.1 mt-30 -65.43 -33.67 76.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.405 HD21 HG12 ' A' ' 71' ' ' VAL . 27.0 m-80 -73.18 -34.71 66.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.78 -25.52 62.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.71 -45.1 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.651 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -52.16 -29.21 21.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.99 147.48 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.06 -28.09 8.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.6 m 60.75 100.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -130.72 164.22 25.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.3 t -143.2 78.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.27 68.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.17 -33.31 14.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.2 173.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.92 -33.46 9.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.65 -35.08 58.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.42 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.99 -60.16 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -114.83 129.86 56.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 t -158.16 94.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 95' ' ' THR . 0.9 OUTLIER -141.27 -169.35 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -178.21 137.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -90.39 -82.56 1.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 119.391 -0.338 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 44.5 mtp -91.72 53.81 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 1.4 t -113.4 -12.77 12.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . 0.536 ' HG3' HD13 ' B' ' 605' ' ' ILE . 20.1 pt20 -89.6 11.27 20.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.536 HD13 ' HG3' ' B' ' 604' ' ' GLN . 0.2 OUTLIER -108.42 -171.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.49 ' H ' HG22 ' B' ' 605' ' ' ILE . 10.0 ptp -64.11 109.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 179.789 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -154.55 101.61 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -115.29 -69.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -109.84 160.57 27.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -19.43 36.14 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -52.93 -44.93 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 2.4 mtt -89.37 -68.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 3.4 tp 54.91 61.08 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 133.46 -60.1 0.67 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.425 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 62.29 89.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -92.82 178.82 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -158.56 55.32 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.11 -66.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.824 0.345 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 5.9 mtt -65.78 -26.01 67.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.99 -31.03 49.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.91 -50.68 49.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -56.32 -49.24 74.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 110.951 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.499 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.86 53.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.4 m -61.61 -29.37 70.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.826 0.346 . . . . 0.0 111.067 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.631 HD21 HG13 ' A' ' 29' ' ' ILE . 10.3 mp -67.8 -42.47 81.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -68.76 -35.29 76.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 47.5 t -76.1 -53.15 8.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.409 ' O ' HD12 ' B' ' 629' ' ' LEU . 10.8 tp -64.55 -44.27 91.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.55 55.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.411 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.64 80.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.42 -37.82 70.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.543 HD13 HD21 ' A' ' 69' ' ' LEU . 65.9 mt -73.34 -33.12 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.18 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.6 81.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.36 -31.34 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -52.74 64.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -65.62 -29.67 70.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.59 61.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.77 -27.81 33.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -99.56 25.78 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -53.35 -52.83 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -26.38 61.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -84.92 -24.25 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -55.6 135.69 50.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -109.66 111.92 23.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . -83.08 4.6 80.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 18.96 16.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.75 -31.16 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.69 -119.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.644 HD12 HG11 ' A' ' 71' ' ' VAL . 60.8 mt -53.69 143.03 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.77 169.84 9.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -62.66 -40.14 96.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.8 -42.89 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.68 91.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -64.58 -51.11 64.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -51.91 -30.06 22.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -91.44 -25.22 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -76.23 -52.12 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -55.51 -53.11 60.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -57.8 -57.41 12.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -52.13 -47.49 65.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -60.87 -54.36 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.746 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.1 OUTLIER -51.46 -38.8 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.918 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.3 -56.02 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.39 -28.38 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.965 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -64.76 -37.34 87.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 663' ' ' MET . 46.2 t -72.92 -48.29 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -51.83 -30.78 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.81 62.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.499 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 33.4 t80 -81.22 -58.25 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -55.27 -35.92 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -73.49 -48.35 34.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . 0.403 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 2.3 ttp -52.07 -52.06 53.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 3.0 p -68.4 -25.68 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 3.5 m -71.75 -57.02 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -68.21 -12.33 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -51.47 -45.24 62.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -81.3 -17.07 50.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -56.92 -22.56 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -56.54 -70.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -35.27 63.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.6 ttp -51.92 -58.13 7.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.13 -50.36 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 3.2 ttt 63.15 50.39 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 8.8 ptm -55.27 -28.28 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.82 -43.28 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -80.96 -38.47 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -98.06 99.67 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 2.0 p -112.47 -73.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.1 62.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.59 -60.78 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.83 -24.67 67.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.012 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.88 -24.92 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -63.2 118.5 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -154.71 -64.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 145.0 -57.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.925 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -149.43 -70.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.808 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.47 -61.3 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tt -174.7 -60.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -116.58 45.78 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.02 -38.21 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -141.92 61.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.4 pt -106.6 152.32 40.69 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.73 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HB3' HG11 ' A' ' 12' ' ' VAL . 53.3 Cg_endo -69.75 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.298 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.611 ' C ' HD22 ' A' ' 11' ' ' LEU . 5.9 pt20 -179.87 -46.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.611 HD22 ' C ' ' A' ' 10' ' ' GLN . 4.4 mm? -130.35 23.24 5.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 21.9 m -60.11 161.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . 72.07 -70.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t -52.21 -51.36 58.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -61.51 -34.96 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -170.18 131.26 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.9 64.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -58.66 -44.27 90.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.77 -42.12 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -26.1 60.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -71.01 -50.44 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.34 -28.74 73.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.15 -26.3 28.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.401 ' HE3' ' HG ' ' B' ' 629' ' ' LEU . 0.1 OUTLIER -55.78 -58.74 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.832 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -57.35 -25.22 59.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -73.98 -25.78 60.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -73.02 -46.47 51.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.538 HG23 ' CE1' ' A' ' 58' ' ' PHE . 4.7 mp -73.03 -47.5 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.893 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.65 -47.18 64.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -72.94 -39.85 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.82 69.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -71.88 -48.53 45.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.78 -40.8 83.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.89 -29.78 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.0 -67.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.1 ptp -58.97 -24.83 63.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.6 t -64.42 -62.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.85 -25.1 60.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -6.93 59.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.65 -24.02 45.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -51.74 135.76 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m170 51.89 55.14 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.96 -74.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.02 30.77 41.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.442 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 63.32 63.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.35 122.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.793 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.15 97.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.0 -42.55 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.68 -52.01 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -62.69 -34.4 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.94 -54.07 51.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.54 -50.4 60.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -66.09 -36.28 82.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.29 -30.95 65.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -63.48 -41.87 98.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.538 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.3 t80 -62.69 -54.7 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.49 -32.69 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -36.12 83.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.31 -35.21 41.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -53.07 -31.55 42.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.02 -29.54 70.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.2 tmtp? -74.55 -52.5 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 62' ' ' ALA . 8.6 p -66.6 -31.62 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -70.48 -53.47 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 71' ' ' VAL . 98.9 m -55.28 -49.32 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.491 HD11 ' HD2' ' A' ' 64' ' ' LYS . 27.8 mt -51.92 -40.23 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 22' ' ' ALA . 2.8 mt -59.37 -37.02 76.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.72 -32.61 62.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 67' ' ' THR . 41.4 t -74.95 -33.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.76 90.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.661 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 56.6 mt-30 -68.9 -34.47 75.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.4 -35.29 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -76.95 -36.6 56.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -30.97 41.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.49 -64.17 3.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.68 -44.81 66.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -57.46 -47.57 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.58 176.22 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 162.95 170.21 27.49 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.6 m 63.2 106.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.193 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -141.35 164.17 30.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.6 t -143.24 78.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.14 68.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.36 -33.6 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.05 -177.06 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.45 161.16 17.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.37 -38.56 34.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.186 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.48 14.97 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.53 -58.64 7.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.1 p -121.08 138.59 54.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.47 -64.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.213 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -120.29 -35.76 3.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.85 -178.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.46 100.24 0.15 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.405 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.394 -0.336 . . . . 0.0 110.864 -179.89 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 77.0 mtp -143.35 -174.49 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.24 -53.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -10.22 51.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.426 HG22 ' HG2' ' B' ' 606' ' ' MET . 18.9 mm -52.89 -72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.426 ' HG2' HG22 ' B' ' 605' ' ' ILE . 0.0 OUTLIER 178.59 47.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.816 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -119.0 144.72 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -122.23 -36.99 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . 0.431 ' HA ' ' HD2' ' B' ' 610' ' ' PRO . 10.8 m-85 -126.54 93.72 42.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.75 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' B' ' 609' ' ' TYR . 54.0 Cg_endo -69.7 -17.27 37.92 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -74.86 -26.18 59.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -82.65 -38.21 23.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 103.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 93.11 133.25 6.46 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.493 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -177.86 123.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.833 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 58.62 -175.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 135.3 160.98 9.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -123.47 -36.53 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.318 . . . . 0.0 110.811 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -26.35 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -55.39 -30.98 61.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.0 -33.73 44.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -62.79 -48.73 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.696 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -54.97 -34.88 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -55.03 -24.44 35.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -35.07 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.422 HD22 ' N ' ' B' ' 626' ' ' LEU . 3.3 mm? -68.09 -37.02 80.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 631' ' ' ALA . 21.7 tt0 -69.72 -39.22 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -53.16 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.401 ' HG ' ' HE3' ' A' ' 25' ' ' MET . 12.1 tp -61.49 -52.62 63.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.33 -37.4 87.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' B' ' 627' ' ' GLN . . . -57.8 -41.14 81.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -55.85 -31.78 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.577 HD13 HD21 ' A' ' 69' ' ' LEU . 80.6 mt -73.14 -35.0 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.98 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.41 -32.37 18.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.26 -50.99 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -66.69 -29.82 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.19 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.6 -25.26 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.94 26.46 8.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -54.84 -44.03 73.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 1.5 p -62.31 -26.75 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.68 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 21.8 t-105 -52.41 148.76 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -92.56 -64.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 100.73 -28.99 13.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -99.61 25.78 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 57.8 p -126.92 24.59 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 125.34 -107.47 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.78 143.83 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.11 175.5 5.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -66.54 -38.21 86.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.47 -41.3 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -70.47 -43.65 69.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -60.96 -43.9 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -57.45 -55.91 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.41 88.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -56.19 -52.91 62.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -51.93 -51.67 55.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.88 -53.36 41.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -53.44 -46.86 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -61.46 -48.88 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.677 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.3 OUTLIER -52.84 -57.8 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -52.27 -35.7 50.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -64.97 -48.98 72.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 663' ' ' MET . 3.4 mt -59.83 -42.43 93.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 663' ' ' MET . 18.2 t -62.01 -51.27 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -30.63 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.04 -27.45 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.696 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 6.7 t80 -85.61 -58.26 2.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.89 -27.4 51.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.9 -50.47 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -54.15 -40.06 67.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 10.3 t -82.6 -26.89 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 1.4 m -60.83 -60.04 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -67.97 -12.55 60.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.168 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -52.87 -44.34 66.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.26 -17.08 47.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' B' ' 676' ' ' THR . . . -51.32 -29.04 13.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.1 -39.35 82.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.3 m -59.77 -23.61 63.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 23.0 mtm -51.22 -59.24 4.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -70.52 -27.84 64.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.23 -170.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.3 mmt -78.74 -26.23 44.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -56.05 -57.84 10.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -58.9 3.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -87.13 95.1 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 1.9 t -112.82 -39.79 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.29 -22.54 20.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.22 -60.83 2.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -63.17 -24.68 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.22 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.99 169.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -57.2 167.22 0.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -131.99 176.04 19.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.526 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.883 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.18 -38.02 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.865 -179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.34 167.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 61.95 91.29 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -172.43 48.52 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.67 -47.42 7.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -164.55 28.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.5 pt -57.85 152.49 37.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 82.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.42 153.38 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 52.59 51.48 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.2 t -94.2 131.08 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.58 37.48 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.1 t -78.77 -32.92 46.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -70.69 -45.04 65.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.0 m 60.29 89.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.8 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.95 70.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.547 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 56.8 t80 -56.35 -48.8 76.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.88 67.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -77.14 -35.97 55.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.592 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -53.49 -50.67 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.58 -25.52 70.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.565 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -79.67 -30.07 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.586 ' HE2' HD22 ' B' ' 629' ' ' LEU . 31.5 tpp -53.45 -58.97 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -57.93 -24.79 59.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 m -51.91 -41.89 62.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.8 mp -73.04 -48.37 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.56 -45.74 66.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.526 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -36.73 67.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -34.22 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -55.49 -32.69 63.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -39.05 58.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.2 75.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.2 -19.26 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.6 mmt -51.99 -29.79 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -51.9 -44.41 63.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.448 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . . . -73.59 -24.46 60.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.02 -10.37 59.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.72 -57.03 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 62.68 -82.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.71 25.8 4.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.13 25.72 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 143.44 -84.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -99.1 170.42 8.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t -150.39 149.9 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 t -179.21 111.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.795 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.3 71.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.7 -24.26 47.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.448 ' CE2' ' HB3' ' A' ' 39' ' ' ALA . 20.1 t80 -56.16 -44.1 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -54.2 -54.11 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.04 37.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.51 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -74.05 -39.14 63.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.89 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -66.05 -37.06 84.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CD2' ' HB3' ' B' ' 669' ' ' ALA . 3.4 t80 -67.44 -54.83 16.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.98 -33.67 42.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.38 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.34 -33.16 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -51.56 -31.49 24.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.18 92.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.086 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -60.13 -52.59 64.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' B' ' 666' ' ' LEU . 7.3 p -64.89 -36.43 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -44.64 90.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 m -65.98 -50.25 64.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.456 HD11 ' HD2' ' A' ' 64' ' ' LYS . 54.3 mt -51.58 -34.35 36.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.592 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 0.5 OUTLIER -55.47 -54.9 38.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.872 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.0 -40.15 80.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.409 HG11 ' HB ' ' B' ' 650' ' ' ILE . 21.6 t -67.4 -32.89 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.84 -50.29 69.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.627 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 57.0 mt-30 -71.87 -34.03 68.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.95 -52.5 28.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.51 -33.92 76.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.43 HD13 HD12 ' B' ' 640' ' ' LEU . 44.1 mt -79.66 -25.96 41.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.21 -74.51 1.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -52.05 -44.97 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -54.64 -26.73 34.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.94 -70.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.12 -87.27 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.6 m -105.45 133.43 50.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -124.94 175.25 7.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 84' ' ' VAL . 2.6 p -63.8 92.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.71 41.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.0 -25.31 14.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.44 154.65 34.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.04 -177.61 4.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.52 -29.56 37.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.06 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.4 -27.49 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.3 p -100.1 121.77 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.65 179.84 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -167.64 154.0 7.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.64 178.35 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.49 -74.03 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.543 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 119.334 -0.365 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.898 0.38 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -108.58 71.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 1.7 p -115.89 -24.19 8.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -89.82 10.91 21.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.1 mm -79.15 -69.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 5.1 ptp -162.38 50.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -123.2 89.37 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -64.12 -67.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -130.29 93.56 32.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.66 0.743 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -10.48 28.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.56 -42.15 61.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 8.9 ptm -90.41 -25.43 20.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 1.9 tt -111.25 95.09 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 136.41 -166.91 24.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -160.58 -49.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . 59.86 172.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 79.15 173.11 43.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -99.37 65.26 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 1.4 mtt -72.69 -26.02 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.54 -30.95 33.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -52.94 -39.68 56.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -57.07 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.547 ' HB2' ' CG ' ' B' ' 670' ' ' TYR . . . -55.93 -40.62 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.0 -26.89 28.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 95.6 m -68.6 -42.0 78.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 0.0 111.113 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.35 -45.02 85.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . 0.535 ' CB ' HG11 ' B' ' 667' ' ' VAL . 6.2 tt0 -55.07 -44.35 74.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 5.1 t -65.24 -52.81 52.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.586 HD22 ' HE2' ' A' ' 25' ' ' MET . 0.9 OUTLIER -55.49 -41.48 73.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.93 49.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -64.0 -35.83 81.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 111.046 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.81 -42.97 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.17 -32.72 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -66.74 -49.96 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.054 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 631' ' ' ALA . 75.6 t -56.62 -51.49 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -53.63 -36.98 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.544 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.3 OUTLIER -73.68 -31.62 63.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.28 -24.72 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.79 -24.57 41.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.056 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 76' ' ' LEU . 11.9 mt -106.33 25.73 10.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . 0.544 ' NE2' HE21 ' B' ' 637' ' ' GLN . 13.6 mm-40 -52.04 -48.18 64.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.7 p -55.62 -26.27 43.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.67 -31.68 32.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.137 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -52.05 149.18 5.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -93.7 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.31 -24.25 26.12 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.95 26.14 4.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 35.5 p -115.82 -27.53 7.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 170.11 -73.1 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.409 ' HB ' HG11 ' A' ' 71' ' ' VAL . 62.2 mt -95.57 127.28 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.52 160.6 22.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -51.98 -41.79 62.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.95 -42.67 60.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.55 94.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -64.78 -51.99 59.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -29.97 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -85.75 -47.84 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -59.0 -52.72 64.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.463 ' CZ3' HG23 ' A' ' 65' ' ' VAL . 68.4 t-105 -52.01 -43.92 63.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.99 -51.45 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -61.02 -47.29 87.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.47 46.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.806 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.7 OUTLIER -53.32 -51.4 62.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -32.98 55.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.94 -42.41 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' B' ' 663' ' ' MET . 8.9 mt -60.77 -54.91 39.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.535 HG11 ' CB ' ' B' ' 627' ' ' GLN . 25.3 m -60.43 -37.48 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -70.38 -33.75 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' B' ' 672' ' ' ALA . . . -56.12 -51.36 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.547 ' CG ' ' HB2' ' B' ' 623' ' ' ALA . 30.6 t80 -53.59 -48.15 69.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' B' ' 669' ' ' ALA . . . -53.29 -30.37 38.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 39.3 ttp -65.96 -32.15 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 7.3 m -81.35 -0.88 43.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.783 -179.738 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 8.4 t -59.02 -21.45 59.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -16.94 57.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.113 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -52.73 57.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . 0.694 ' O ' HG22 ' B' ' 681' ' ' THR . 0.7 OUTLIER -73.57 -17.99 61.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.937 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.711 ' HB1' ' CE ' ' B' ' 682' ' ' MET . . . -57.55 -22.36 44.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -53.07 -36.5 60.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . 0.694 HG22 ' O ' ' B' ' 678' ' ' GLU . 14.1 t -61.8 -28.16 69.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . 0.711 ' CE ' ' HB1' ' B' ' 679' ' ' ALA . 67.9 mtm -51.31 -30.67 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 179.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -51.56 -31.57 24.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 11.6 ttt -61.88 145.51 52.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -39.42 92.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.6 -39.49 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -48.54 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -56.04 102.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 67.4 p -137.38 -53.9 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.33 -23.04 20.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.73 -60.85 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.65 67.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.52 -25.11 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.53 -42.09 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -57.77 -59.89 4.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -179.39 -115.98 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.907 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.13 -60.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.779 -179.752 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.15 148.73 22.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -140.33 -55.32 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -162.2 54.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.57 -30.74 13.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -175.31 33.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 pt -68.63 152.48 96.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 85.28 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.22 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.72 165.99 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 mp 52.94 31.47 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.964 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -93.78 129.67 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.27 41.14 29.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.5 p -52.46 -33.55 44.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -49.06 71.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.58 100.55 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.46 -28.95 12.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.96 -50.69 46.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.36 -42.92 64.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.06 76.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -38.48 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.14 -49.72 76.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.33 -31.47 68.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.11 -25.7 58.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.5 ' HA ' HD13 ' B' ' 629' ' ' LEU . 1.3 ttm -59.7 -58.93 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -52.07 -39.08 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -57.06 -41.75 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.0 m -70.85 -41.83 70.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.652 HD13 ' CD1' ' B' ' 626' ' ' LEU . 40.5 mm -53.0 -45.09 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.48 -36.19 54.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -34.04 69.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.8 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.91 -32.79 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.67 -35.58 42.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.3 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.24 -21.03 56.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 mmt -51.92 -30.15 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 m -51.97 -42.69 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.47 -25.56 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -67.52 -13.26 61.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.72 -42.01 74.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 63.46 -82.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.43 -25.14 17.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -30.15 70.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.6 -70.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.32 166.5 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 t -174.19 175.32 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.8 p -148.5 173.1 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.52 -48.63 12.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.13 -24.98 44.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.085 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -56.14 -34.46 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.04 -54.01 25.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.48 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.87 -39.13 80.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -63.14 -35.62 80.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.23 -30.92 65.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.7 -41.64 98.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.504 ' HE1' HG23 ' A' ' 29' ' ' ILE . 3.2 t80 -63.07 -54.81 32.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.95 -32.93 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -41.47 27.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.427 ' HA ' HD21 ' B' ' 666' ' ' LEU . . . -51.77 -31.5 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.61 -35.66 77.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.53 ' HG3' ' HB2' ' B' ' 662' ' ' ALA . 2.7 tptm -69.26 -53.44 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.755 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.4 p -57.5 -45.64 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -60.53 -41.16 93.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 71' ' ' VAL . 24.4 m -67.44 -26.98 66.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 65' ' ' VAL . 38.5 mt -69.59 -44.84 69.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -55.31 -40.4 71.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -32.22 72.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 67' ' ' THR . 85.2 t -76.05 -47.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.94 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.623 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 60.5 mt-30 -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.92 -30.01 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -81.16 -38.78 26.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' B' ' 640' ' ' LEU . 96.4 mt -78.13 -26.35 47.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.13 -72.53 2.28 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.91 -40.19 60.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -57.84 -37.96 74.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -83.6 -70.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.56 116.5 0.51 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.501 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.9 m -158.8 142.22 14.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -124.83 173.3 8.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.9 t -74.3 86.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.75 66.57 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.99 -32.5 20.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 152.25 40.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.8 161.18 40.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.176 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.32 -34.11 75.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.01 -25.74 59.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.0 85.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -68.86 151.39 46.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.792 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 m -137.44 152.83 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -74.61 154.13 38.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.4 m -100.41 125.55 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.74 -93.68 2.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 119.284 -0.389 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.29 72.34 9.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 4.9 p -115.96 -24.55 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.86 10.93 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.1 mm -78.61 -69.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 15.9 ptm -161.88 49.57 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -122.8 165.3 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.04 -61.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -124.48 93.6 46.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.751 0.786 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -36.54 10.7 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -60.4 -27.95 67.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -39.03 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' B' ' 676' ' ' THR . 8.4 tp -59.32 111.63 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 67.77 159.75 1.31 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -171.28 -52.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.301 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -174.19 -172.63 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 155.73 -173.12 33.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -36.45 57.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.698 0.285 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 1.9 ptp -63.67 -28.27 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.56 -30.99 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.02 -34.56 46.72 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -53.04 -53.56 48.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.379 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.38 -33.47 43.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -60.35 -24.23 61.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 41.2 m -75.67 -41.01 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.86 0.362 . . . . 0.0 111.174 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.652 ' CD1' HD13 ' A' ' 29' ' ' ILE . 3.8 mm? -65.79 -53.99 32.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -32.4 65.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 8.6 t -72.61 -36.5 68.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 25' ' ' MET . 0.6 OUTLIER -74.35 -51.3 15.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.97 -44.18 61.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -62.88 -40.79 98.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.91 -40.05 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.24 -46.75 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -55.63 -33.8 64.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 631' ' ' ALA . 69.1 t -77.34 -31.22 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.13 -52.79 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -61.72 -29.75 70.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.27 -24.7 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.19 -28.32 29.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.046 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.494 ' CD1' HD13 ' A' ' 76' ' ' LEU . 9.4 mt -99.55 26.8 5.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -60.89 -45.48 94.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -26.59 66.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.5 -27.81 56.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -52.6 149.42 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -94.19 -64.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.48 -19.19 42.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.57 25.83 11.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 21.7 p -126.91 24.54 6.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 124.47 -115.79 2.6 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.18 144.05 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.357 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . 0.421 HG22 ' H ' ' B' ' 652' ' ' TYR . 0.2 OUTLIER -97.84 171.81 8.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . 0.421 ' H ' HG22 ' B' ' 651' ' ' THR . 55.6 p90 -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -74.07 -42.73 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . 0.492 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -67.14 -39.91 86.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -65.43 -47.27 76.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.45 -51.45 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.6 -41.03 72.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.492 HE21 ' HB1' ' B' ' 654' ' ' ALA . 33.0 mt-30 -56.17 -52.95 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.44 ' HE3' HD13 ' A' ' 68' ' ' LEU . 61.5 t-105 -52.13 -56.52 14.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.65 -40.12 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -64.58 -38.85 92.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . 0.53 ' HB2' ' HG3' ' A' ' 64' ' ' LYS . . . -73.4 -54.71 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.746 ' HA ' HD12 ' B' ' 666' ' ' LEU . 0.2 OUTLIER -53.8 -47.48 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.96 -34.0 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -73.07 -32.71 65.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' B' ' 663' ' ' MET . 9.4 mt -70.96 -54.15 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 668' ' ' ARG . 14.7 m -51.94 -44.02 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . 0.412 ' N ' HG23 ' B' ' 667' ' ' VAL . 15.3 ptt180 -70.7 -30.89 67.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.13 66.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -82.52 -56.36 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -61.56 -31.41 71.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -66.9 -49.73 64.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 179.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 8.4 tmm? -64.23 -32.51 74.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 2.0 t -80.24 -28.05 38.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 47.5 t -67.9 -59.15 3.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.415 ' HA ' HD21 ' B' ' 613' ' ' LEU . 1.7 m -64.77 -20.63 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -51.97 -29.94 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -54.96 -26.8 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -55.86 -25.16 40.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -53.08 -54.52 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 20.1 p -74.07 -30.52 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 12.9 mtm -51.95 -59.72 4.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -83.16 -27.25 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.05 -177.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 2.5 ttp -89.18 -30.18 18.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -53.69 -57.52 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -43.0 71.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -99.65 80.66 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 12.5 t -113.82 -31.35 6.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.832 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.43 -23.2 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.92 -60.82 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.64 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.16 -25.11 29.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.3 154.21 8.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -100.26 105.85 17.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 143.96 -111.97 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.413 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.463 -179.902 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.734 0.302 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.57 26.95 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.763 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.11 149.59 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mt -113.86 177.7 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -131.37 37.32 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.04 -58.57 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -136.96 74.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.1 pt -120.03 152.45 54.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 79.8 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.712 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -76.08 -37.46 58.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.712 HD22 ' O ' ' A' ' 10' ' ' GLN . 3.8 mm? -133.54 78.03 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -127.74 -40.2 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.27 34.92 4.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -55.53 -28.84 57.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -54.83 -54.85 36.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.82 104.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.26 -30.38 7.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.74 -51.18 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.46 64.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.55 90.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.74 -33.58 62.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.99 -39.7 75.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.049 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.71 93.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD23 HD22 ' B' ' 629' ' ' LEU . 0.4 OUTLIER -65.35 -26.04 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.486 ' HE3' ' HG ' ' B' ' 629' ' ' LEU . 0.0 OUTLIER -58.76 -58.7 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.869 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.44 -25.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -68.56 -48.89 63.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.421 HG21 HD23 ' B' ' 626' ' ' LEU . 1.2 m -54.58 -54.2 44.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.699 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.8 mp -66.51 -48.44 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.09 -47.03 68.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -73.15 -48.85 31.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.1 -27.75 54.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -74.35 -32.82 62.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -56.84 -46.2 81.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.61 -30.4 60.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' ' HZ ' ' A' ' 51' ' ' PHE . . . -74.16 -23.26 59.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.1 mmt -51.9 -29.95 22.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 m -52.43 -47.34 66.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 51' ' ' PHE . . . -62.06 -23.54 66.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -7.01 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.61 ' HB1' ' HB2' ' A' ' 44' ' ' GLN . . . -55.77 -57.26 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 52.75 24.18 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 177.95 -40.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.61 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -51.85 -30.69 24.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.906 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.08 -57.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -139.79 -170.46 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 p -144.79 -179.5 6.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 p -179.29 119.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.03 -52.79 6.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.38 -24.65 45.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.576 ' HZ ' ' HB1' ' A' ' 36' ' ' ALA . 46.7 t80 -56.38 -37.61 70.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -63.96 -54.01 41.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.18 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.11 -35.93 48.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.67 -33.52 75.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.76 -30.63 68.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -66.2 -37.96 86.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.699 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 77.9 t80 -66.92 -54.84 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.55 -32.43 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.69 77.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.35 -38.49 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.12 59.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.05 -30.56 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.5 OUTLIER -66.95 -52.53 41.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.528 HG21 HD13 ' B' ' 666' ' ' LEU . 17.1 t -64.32 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -48.82 75.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 71' ' ' VAL . 92.3 m -58.12 -51.79 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.34 -35.65 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.17 -40.9 78.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.15 -32.62 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 67' ' ' THR . 61.5 t -70.96 -36.14 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.01 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 37.7 mt-30 -69.79 -36.6 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 -32.96 73.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -79.03 -39.32 34.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.39 -31.25 67.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.21 -62.22 3.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.455 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -52.13 -39.29 59.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -60.03 -63.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -103.76 -72.87 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.14 20.11 8.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.9 t -69.17 172.11 7.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 -179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -96.4 -178.34 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 84' ' ' VAL . 2.6 p -63.09 93.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.1 36.68 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.66 -26.47 21.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 61.93 -173.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.82 -33.34 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.95 -47.14 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.49 -56.66 13.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.82 37.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.051 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.6 -179.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.505 HG23 ' H ' ' A' ' 95' ' ' THR . 14.3 t -73.65 170.65 14.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -55.36 -31.25 61.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.505 ' H ' HG23 ' A' ' 93' ' ' THR . 17.4 m 58.02 91.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.27 -149.53 9.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.827 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 11.9 mtp -138.87 50.36 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 92.3 p -112.7 -11.83 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . 0.529 ' HG3' HD13 ' B' ' 605' ' ' ILE . 16.4 pt20 -89.71 11.31 20.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.529 HD13 ' HG3' ' B' ' 604' ' ' GLN . 0.1 OUTLIER -109.31 -171.42 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 179.9 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.456 ' H ' HG22 ' B' ' 605' ' ' ILE . 6.7 ptm -64.07 109.8 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -154.63 50.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -90.09 -26.95 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -115.05 160.49 33.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -23.13 31.32 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.377 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.88 50.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -27.48 31.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.479 HD11 HG23 ' B' ' 676' ' ' THR . 0.2 OUTLIER -56.64 136.77 54.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 110.12 -105.91 2.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 4.7 t60 61.79 91.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -171.51 -178.84 2.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -152.29 58.23 0.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.433 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -154.12 -60.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -28.97 69.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.54 82.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.37 -43.01 93.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -53.29 -50.39 64.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.939 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -68.18 -33.99 75.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.067 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -56.12 -25.09 45.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.569 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 93.7 m -69.75 -30.0 67.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.185 -179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.628 HD13 HD21 ' B' ' 666' ' ' LEU . 90.8 mt -67.46 -39.97 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -68.53 -37.18 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 12.4 t -76.2 -53.19 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.486 ' HG ' ' HE3' ' A' ' 25' ' ' MET . 12.7 tp -64.12 -52.29 59.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.89 -46.75 54.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.45 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.608 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -58.18 -36.89 73.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.072 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.49 -36.05 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.53 -45.23 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.31 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 631' ' ' ALA . 80.1 t -77.43 -31.2 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.16 -52.83 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -61.54 -29.7 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -59.27 -24.73 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -85.61 -25.17 26.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 8.0 mt -100.7 27.57 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.69 -39.7 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 14.5 m -66.24 -26.62 67.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.77 -179.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.22 57.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -52.61 145.74 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -91.38 -64.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 90.93 19.68 42.36 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.17 26.18 3.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 58.1 p -119.4 -30.93 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 173.85 -71.44 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.405 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.402 HD12 HG11 ' A' ' 71' ' ' VAL . 61.2 mt -99.8 144.12 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.04 172.9 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -65.57 -38.39 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -73.47 -41.16 63.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.63 -48.53 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -54.42 -47.13 73.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -54.83 -26.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -89.78 -44.72 9.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -57.95 -51.51 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -52.01 -59.11 4.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -57.32 -51.96 67.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.9 -31.29 39.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -77.41 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.456 ' O ' HG23 ' B' ' 667' ' ' VAL . 1.4 mmt -53.71 -30.26 42.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.33 -56.28 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -76.17 -32.89 59.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.628 HD21 HD13 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -65.2 -34.24 77.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.914 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 663' ' ' MET . 5.9 t -70.3 -52.59 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -68.12 -30.33 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.15 -35.23 66.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 52.5 t80 -85.55 -53.14 5.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -52.07 -44.99 64.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -63.48 -46.89 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -57.17 -35.91 70.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 66.9 m -80.77 -29.86 36.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 3.7 m -61.64 -52.6 63.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.544 ' HA ' ' HB3' ' B' ' 679' ' ' ALA . 0.2 OUTLIER -74.53 -9.63 58.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.127 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -53.28 -54.49 35.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -82.62 -25.11 33.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.647 ' HB1' ' CE ' ' B' ' 682' ' ' MET . . . -72.98 -16.53 61.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -50.5 -50.02 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.45 -32.8 62.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . 0.647 ' CE ' ' HB1' ' B' ' 679' ' ' ALA . 25.4 ttp -51.31 -49.85 60.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.45 69.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 2.3 ttm 63.33 169.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.79 -34.24 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.03 70.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -49.48 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.99 93.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 13.3 p -123.78 -67.45 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -59.23 -24.84 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.026 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.73 -60.82 2.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.92 -24.82 67.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -87.33 -24.78 24.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.03 132.23 32.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -99.15 87.54 3.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 174.83 -35.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.957 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.755 0.312 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.57 150.58 45.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.03 173.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 132.3 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 53.42 33.16 15.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.1 -41.14 5.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -59.78 -27.56 66.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -74.2 152.54 88.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.63 0.728 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 83.2 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -111.83 146.1 38.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp 63.27 21.26 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.88 132.88 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.33 44.62 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 t -58.01 -31.54 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -37.63 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 p -102.95 97.2 7.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.26 -25.43 61.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -52.86 -51.75 59.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.07 86.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.85 -35.67 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.6 -36.68 57.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB2' HD22 ' A' ' 69' ' ' LEU . . . -58.28 -40.24 81.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.41 60.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -26.13 68.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.5 tpp -63.15 -58.45 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -55.66 -26.08 42.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -70.07 -32.25 70.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -70.06 -41.74 73.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.5 mp -73.02 -46.52 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.93 -46.09 84.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -72.91 -41.84 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.85 69.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -72.09 -46.92 54.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -52.23 -33.83 43.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.03 -48.04 67.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.84 -28.79 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.8 mtt -82.32 -45.74 14.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 m -52.13 -52.7 49.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.24 -26.87 68.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.084 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -85.16 -6.91 59.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.92 -22.5 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -51.76 -30.4 22.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -167.01 78.08 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -73.01 129.63 38.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 147.22 -23.35 1.57 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -125.74 139.78 53.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.13 119.75 18.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.765 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.2 m -63.0 138.34 58.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.37 -40.29 67.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.513 ' HB1' HG21 ' B' ' 676' ' ' THR . . . -62.86 -46.44 87.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -56.24 -34.29 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -69.73 -53.98 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.29 -35.66 38.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HB1' ' HG3' ' B' ' 673' ' ' MET . . . -78.04 -33.26 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -70.95 -33.41 70.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.18 -31.13 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -62.98 -43.67 98.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.22 -54.53 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -61.36 -32.42 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.66 -33.04 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' B' ' 666' ' ' LEU . . . -79.41 -39.19 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.66 -31.27 24.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.96 59.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.705 ' HG2' ' HB2' ' B' ' 662' ' ' ALA . 0.0 OUTLIER -73.5 -52.62 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.409 HG13 ' CH2' ' B' ' 659' ' ' TRP . 32.9 t -54.28 -36.76 34.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.69 -44.66 63.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 71' ' ' VAL . 97.0 m -60.09 -38.33 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.4 -28.4 56.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD21 HD13 ' B' ' 633' ' ' ILE . 10.6 mt -63.49 -37.55 87.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.999 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.88 -37.28 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 67' ' ' THR . 91.8 t -70.31 -34.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.56 -50.08 70.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.56 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 58.9 mt-30 -71.63 -34.03 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.27 74.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.3 -40.41 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.66 -32.89 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.76 -64.04 3.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -52.02 -35.21 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -55.98 -54.15 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.81 -75.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.77 41.58 0.31 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 t -154.91 171.72 19.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.338 . . . . 0.0 111.137 -179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -153.92 160.4 42.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 84' ' ' VAL . 4.2 p -131.18 80.63 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.52 59.79 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.32 -29.54 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 t70 62.72 166.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.15 -179.3 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.71 -28.18 69.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.75 88.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -55.58 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.86 104.57 14.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.43 153.52 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -118.81 158.04 26.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.977 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.7 141.63 47.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -91.35 -142.05 10.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 119.355 -0.355 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.897 0.379 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.97 72.13 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 91.6 p -116.0 -24.43 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -89.9 10.84 22.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.55 -69.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 10.9 ptm -161.83 49.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.94 65.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.24 -62.92 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -120.22 93.71 48.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.722 . . . . 0.0 110.964 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 82.02 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -77.51 -47.82 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -47.53 18.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' B' ' 676' ' ' THR . 0.1 OUTLIER -54.22 106.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 142.53 -129.76 3.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.512 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' B' ' 616' ' ' ALA . 0.1 OUTLIER 69.26 -75.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 615' ' ' HIS . . . 69.01 -77.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 101.31 -111.29 4.08 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -27.24 63.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.61 -40.19 95.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.26 -31.05 41.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -57.77 -43.5 94.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.1 -45.99 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' B' ' 670' ' ' TYR . . . -65.65 -54.65 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.03 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -54.58 -25.03 33.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.452 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 78.2 m -62.1 -33.61 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 626' ' ' LEU . 4.1 mm? -64.23 -48.56 75.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . 0.644 ' HB2' HG21 ' B' ' 667' ' ' VAL . 5.0 tm0? -61.74 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -48.23 82.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.78 -51.57 54.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -52.21 -31.67 34.65 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -57.59 -34.62 69.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.78 -37.98 69.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.552 HD13 HD21 ' A' ' 69' ' ' LEU . 51.0 mt -73.53 -33.86 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -65.12 -53.65 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.6 -40.39 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.24 -37.06 85.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.562 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.78 -31.89 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.92 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -74.2 -24.66 59.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -82.17 -24.63 34.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 15.4 mt -106.67 39.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . 0.562 ' NE2' HE21 ' B' ' 637' ' ' GLN . 24.7 mm-40 -66.75 -44.95 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 15.8 m -55.43 -26.27 40.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -81.34 -33.37 32.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -52.92 139.12 28.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -87.66 -58.85 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 93.19 -22.03 36.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -98.74 26.51 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 15.2 p -112.68 -30.31 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 168.08 -80.28 0.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.465 HD12 HG11 ' A' ' 71' ' ' VAL . 60.2 mt -85.4 143.72 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.7 174.32 6.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -65.43 -38.75 90.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . 0.414 ' OE1' ' HB2' ' B' ' 654' ' ' ALA . 0.0 OUTLIER -73.57 -42.19 61.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . 0.495 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -68.69 -44.58 73.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -59.77 -48.43 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.27 -55.24 36.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -57.17 -54.02 51.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.495 HE21 ' HB1' ' B' ' 654' ' ' ALA . 41.0 mt-30 -56.11 -52.75 63.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.427 ' O ' ' HB3' ' B' ' 662' ' ' ALA . 54.2 t-105 -51.86 -56.23 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -50.98 -57.6 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.36 -26.87 61.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . 0.705 ' HB2' ' HG2' ' A' ' 64' ' ' LYS . . . -71.28 -54.51 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.49 ' O ' HG23 ' B' ' 667' ' ' VAL . 60.7 mmm -58.88 -44.2 91.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -68.03 -32.14 72.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -66.25 -53.91 31.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -67.29 -34.24 76.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' B' ' 627' ' ' GLN . 2.5 t -56.31 -47.22 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -70.37 -31.55 68.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.69 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' B' ' 623' ' ' ALA . 41.0 t80 -78.45 -55.18 5.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.962 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -51.99 -30.09 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.12 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . 0.454 ' HG3' ' HB1' ' A' ' 54' ' ' ALA . 40.6 mtp -53.23 -35.89 60.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.61 -36.22 26.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . 0.412 ' OG ' HD23 ' B' ' 613' ' ' LEU . 27.7 t -60.34 -50.03 75.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.575 ' HA ' HD21 ' B' ' 613' ' ' LEU . 1.1 m -75.86 -11.52 59.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -52.78 -28.91 24.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.2 -23.87 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -52.0 -29.16 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -51.65 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -25.25 59.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.14 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -38.6 88.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.78 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.1 ttt -52.0 155.76 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 1.1 mmt -72.12 -28.72 63.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -52.62 -43.07 65.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.74 -34.42 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -122.8 79.4 1.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 13.9 t -104.19 -31.86 9.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.202 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.25 -23.39 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.64 -60.85 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.37 -24.68 67.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.35 -25.26 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -53.92 -42.01 68.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -56.69 -45.86 81.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 104.72 -70.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.921 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.87 130.23 49.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt 55.67 91.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.04 128.0 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 t0 60.7 66.52 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.84 -60.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -139.25 29.89 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.0 pt -57.37 152.53 32.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -164.66 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.604 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER 178.98 111.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 mp 57.69 23.19 9.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.604 HG23 ' H ' ' A' ' 10' ' ' GLN . 94.0 t -81.65 -40.36 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.15 41.18 1.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 t -65.14 -37.53 87.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -64.29 -26.66 68.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 t -172.55 104.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.1 -27.41 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -65.21 -48.59 72.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.76 63.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.63 -31.76 69.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -49.67 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.591 ' CB ' HD22 ' A' ' 69' ' ' LEU . . . -54.09 -42.23 69.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.71 -25.66 72.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.85 55.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.588 ' HB2' HD11 ' B' ' 633' ' ' ILE . 44.1 tpp -64.39 -57.53 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -55.72 -25.86 42.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -66.87 -38.28 86.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.488 ' CG2' HD12 ' B' ' 626' ' ' LEU . 0.2 OUTLIER -64.47 -50.21 68.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.917 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.693 HG13 HD21 ' B' ' 626' ' ' LEU . 4.1 mp -66.99 -48.31 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.71 -47.13 65.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -72.96 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.94 -27.87 68.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -72.31 -33.38 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -63.43 -33.89 76.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.44 -38.55 74.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.91 -29.06 69.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.0 mmt -64.97 -32.06 73.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 p -57.92 -35.43 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.52 -31.06 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -85.19 -7.03 59.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.63 -21.77 54.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -51.75 -30.67 23.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -132.77 -48.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 59.95 67.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.32 -51.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -129.03 168.53 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.2 159.67 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.4 -176.0 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.1 -57.42 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.34 -47.17 72.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -62.82 -34.3 77.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -67.34 -54.09 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -51.41 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -64.4 -36.36 83.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.61 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.61 -35.5 80.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 89.7 t80 -69.03 -54.83 13.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.73 -32.38 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.03 95.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.33 -36.85 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.91 -37.41 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.13 79.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 3.9 tmtp? -61.85 -40.88 96.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.967 HG21 HD22 ' B' ' 666' ' ' LEU . 18.5 t -71.42 -46.01 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -50.86 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -54.88 -51.94 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.5 mt -51.92 -43.39 63.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.591 HD22 ' CB ' ' A' ' 22' ' ' ALA . 18.5 mt -58.99 -34.13 71.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.08 -32.15 61.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.532 HG11 HD12 ' B' ' 650' ' ' ILE . 94.0 t -75.49 -51.13 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB2' ' NE1' ' B' ' 655' ' ' TRP . . . -51.62 -50.77 59.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.685 ' HB3' ' HB2' ' A' ' 80' ' ' ALA . 94.5 mt-30 -57.99 -33.45 68.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.36 -47.48 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -71.58 -14.99 62.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -24.89 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.16 -88.22 0.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.571 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -52.08 -31.15 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -51.8 -31.82 28.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -101.89 -64.7 1.04 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.34 -30.79 2.09 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.43 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.1 m -130.09 132.37 46.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.713 0.292 . . . . 0.0 111.09 -179.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.568 ' HE1' ' HB3' ' A' ' 85' ' ' ALA . 6.8 p90 -68.67 163.7 23.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.0 t -136.09 78.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.568 ' HB3' ' HE1' ' A' ' 83' ' ' TYR . . . -103.81 41.9 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.34 -43.14 83.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -114.33 177.5 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.32 -172.24 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.49 -47.49 55.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.1 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.7 -53.81 14.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.5 p -54.34 108.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 160.95 18.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 60.75 176.91 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m 59.93 98.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.189 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.01 -89.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.812 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -106.23 72.54 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 3.2 p -115.94 -24.45 8.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -89.8 10.85 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.1 mm -78.65 -69.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 19.2 ptp -161.17 48.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -122.66 -36.28 2.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 69.34 -75.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -125.69 160.47 55.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.687 0.756 . . . . 0.0 110.919 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.89 36.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -73.46 -41.84 62.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -32.63 68.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.32 133.3 45.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . 111.8 136.82 7.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -168.24 79.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -175.53 -176.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -142.98 -145.46 4.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 72.27 -69.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.809 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -29.21 70.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.52 -31.01 33.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -53.57 -50.14 54.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -57.18 13.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.402 . . . . 0.0 110.947 -179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' B' ' 670' ' ' TYR . . . -52.92 -43.27 66.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -53.2 -26.71 29.47 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 60.9 m -59.57 -48.49 81.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.717 ' CD2' HD11 ' B' ' 666' ' ' LEU . 9.2 mp -57.74 -43.32 85.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -47.49 66.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 15.1 m -76.02 -30.97 58.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -51.43 63.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.16 94.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . 0.542 ' O ' HG23 ' B' ' 635' ' ' VAL . . . -53.26 -42.18 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.93 -38.97 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 25' ' ' MET . 65.2 mt -73.27 -45.02 54.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.11 75.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 631' ' ' ALA . 92.7 t -71.78 -31.27 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.97 -52.73 32.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -68.38 -30.88 69.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -55.23 -27.53 46.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -79.49 -25.29 41.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.05 23.5 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -55.08 -40.01 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 75.7 m -70.25 -19.09 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -79.85 -13.33 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -51.49 151.02 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -105.72 -33.98 7.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 52.02 27.94 23.61 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.19 16.93 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 19.5 p -121.04 -31.28 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 164.37 -84.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.532 HD12 HG11 ' A' ' 71' ' ' VAL . 57.3 mt -64.52 139.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 111.024 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . 0.445 ' H ' ' HB3' ' B' ' 654' ' ' ALA . 0.3 OUTLIER -95.9 160.71 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -51.21 -45.01 61.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -75.19 -41.95 56.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' B' ' 651' ' ' THR . . . -57.03 -50.19 73.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . 0.47 ' NE1' ' HB2' ' A' ' 72' ' ' ALA . 29.0 t90 -54.2 -40.79 67.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -59.69 -55.96 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -66.36 -22.56 66.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.1 -52.68 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.452 ' HZ2' HD12 ' B' ' 633' ' ' ILE . 58.1 t-105 -55.68 -52.2 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.59 -58.52 8.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -51.67 -45.34 63.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -62.56 -54.43 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.725 ' O ' HG23 ' B' ' 667' ' ' VAL . 36.3 tpp -51.57 -37.33 49.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.63 -56.04 27.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.91 -28.2 65.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.967 HD22 HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -65.97 -38.33 88.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.725 HG23 ' O ' ' B' ' 663' ' ' MET . 85.8 t -65.87 -51.32 62.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.839 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -65.55 -39.1 91.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.18 -25.24 46.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . 0.56 ' HD2' ' HB2' ' B' ' 623' ' ' ALA . 84.5 t80 -85.06 -54.96 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.94 58.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.8 ttp -52.28 -50.79 61.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 2.0 t -82.78 -26.63 31.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 1.6 t -57.53 -31.8 66.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.17 -8.14 49.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -56.54 -25.61 52.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -70.55 -21.34 62.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -52.29 -28.78 20.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -51.61 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 1.3 p -74.04 -27.14 60.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -32.99 68.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -61.69 -68.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.73 167.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.68 -46.28 7.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -54.41 -33.95 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.48 -27.73 41.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -93.6 67.49 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 11.8 t -117.78 -32.07 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.3 -23.75 20.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.02 -60.75 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -61.84 -24.63 67.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -83.83 -25.13 30.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 176.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -116.03 125.98 53.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . -96.51 -56.86 1.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.918 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m 57.98 48.07 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.22 119.0 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.76 -174.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 55.1 69.7 0.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.72 -60.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.27 38.67 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 pt -81.57 152.42 69.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.612 0.72 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.628 2.219 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.534 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 179.26 117.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp 57.53 24.05 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.534 HG23 ' H ' ' A' ' 10' ' ' GLN . 73.4 t -87.69 140.06 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 17' ' ' ALA . . . 53.33 33.09 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -83.05 -30.72 27.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -53.12 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.01 104.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . . . -112.07 -25.58 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -64.05 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.95 83.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.15 -33.97 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -39.55 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.444 ' HA ' HD11 ' A' ' 69' ' ' LEU . . . -54.12 -46.04 72.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.19 -26.87 72.61 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.37 -31.23 62.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.516 ' HE2' HD22 ' B' ' 629' ' ' LEU . 0.0 OUTLIER -63.89 -58.72 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.795 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.61 -29.22 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -67.21 -39.79 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.503 ' OG1' HD13 ' B' ' 629' ' ' LEU . 0.7 OUTLIER -65.17 -48.33 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.86 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.668 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.7 mp -67.18 -46.1 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.04 -45.63 93.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -73.1 -49.54 27.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.27 -27.74 66.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -48.2 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.57 -33.8 68.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.18 -39.11 66.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.9 81.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.5 mmt -54.84 -59.4 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -52.82 -48.22 67.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.98 -23.88 63.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -80.02 -6.94 58.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.49 -18.9 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -51.69 -31.15 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.34 114.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -114.61 116.68 29.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.8 -116.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -132.52 65.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 m -158.35 50.24 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -134.25 71.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.01 -57.59 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.19 -32.77 74.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -73.35 -34.77 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.71 -54.08 18.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.88 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.86 88.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -68.64 -40.31 80.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -66.37 -35.06 79.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.668 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 72.0 t80 -69.39 -54.86 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.96 -32.23 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.36 86.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.36 -40.83 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.52 -31.54 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.33 69.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' HB3' ' HB1' ' B' ' 662' ' ' ALA . 0.4 OUTLIER -65.7 -53.09 45.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.001 HG21 HD22 ' B' ' 666' ' ' LEU . 24.0 t -56.88 -43.67 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.085 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -45.72 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 71' ' ' VAL . 99.0 m -62.77 -52.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.08 -34.06 76.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 22' ' ' ALA . 31.9 tp -62.32 -40.13 95.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.41 -41.74 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 67' ' ' THR . 67.1 t -54.23 -44.53 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' O ' HD12 ' A' ' 76' ' ' LEU . . . -52.12 -52.38 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.582 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 82.1 mt-30 -59.68 -41.67 91.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.27 -27.07 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.64 -48.54 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' B' ' 640' ' ' LEU . 3.3 mp -71.09 -32.66 69.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.37 -58.25 4.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -35.03 42.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 73' ' ' GLN . . . -59.99 -54.69 43.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.89 -75.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -175.57 -171.23 39.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.5 t -105.32 168.79 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.118 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 85' ' ' ALA . 32.0 p90 -161.91 164.84 28.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.59 85.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 83' ' ' TYR . . . -94.28 77.43 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.9 -42.29 12.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.73 -171.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.44 177.85 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.47 -37.09 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -51.73 -30.03 20.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.32 87.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -86.17 105.27 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.5 p -110.27 -24.26 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 95' ' ' THR . 45.0 m-85 -101.28 151.19 22.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -178.27 131.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.077 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.3 137.92 2.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.7 p90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.853 -179.921 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 11.8 mtp -99.5 22.04 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 98.9 p -91.3 -9.08 46.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.797 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . 0.515 ' HG3' HD13 ' B' ' 605' ' ' ILE . 29.5 pt20 -89.76 11.06 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . 0.515 HD13 ' HG3' ' B' ' 604' ' ' GLN . 0.2 OUTLIER -109.57 -171.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.918 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . 0.477 ' H ' HG22 ' B' ' 605' ' ' ILE . 2.8 ptm -64.53 93.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -136.56 102.3 4.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -72.71 -73.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -117.37 160.6 37.1 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.587 0.708 . . . . 0.0 110.983 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -15.79 37.55 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -51.69 -30.56 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 9.0 ptm -85.28 -30.14 24.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.798 HD21 ' HB1' ' B' ' 679' ' ' ALA . 51.8 tp -62.36 148.31 45.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -55.46 162.27 5.24 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -107.63 -70.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -167.96 -70.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . 58.05 -156.2 19.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.04 40.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 2.8 mtt -70.62 -27.58 64.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -52.54 -31.61 36.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -59.26 -40.73 96.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -62.01 -38.14 87.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.13 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -52.44 -34.78 42.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 28.4 m -55.97 -44.69 78.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 111.15 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.406 ' CD1' HG22 ' A' ' 28' ' ' THR . 6.6 mp -68.29 -47.06 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -53.55 -36.86 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 49.0 m -76.21 -52.96 8.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . 0.516 HD22 ' HE2' ' A' ' 25' ' ' MET . 1.1 tt -54.21 -48.63 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.51 -45.96 53.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -53.46 -33.58 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.693 0.282 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.77 -42.13 75.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.541 HD13 ' CZ2' ' B' ' 659' ' ' TRP . 2.7 mp -73.35 -33.95 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.05 76.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 12.3 p -77.69 -30.95 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -52.85 62.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -59.66 -29.42 68.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -60.04 -28.51 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -81.63 -20.63 39.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . 0.506 ' HB2' HD21 ' A' ' 76' ' ' LEU . 18.9 mt -106.03 28.66 7.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -56.89 -25.6 57.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.34 20.22 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -119.71 -31.38 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -51.95 143.94 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -93.89 -55.78 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 92.67 -19.96 47.84 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.26 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 2.4 p -117.71 -29.92 5.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 165.88 -96.35 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.478 HD12 HG11 ' A' ' 71' ' ' VAL . 61.8 mt -70.66 142.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.75 164.71 14.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -59.63 -41.18 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.37 -42.88 58.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.7 -40.29 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -66.36 -51.35 58.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -52.31 -29.72 24.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -92.83 -23.0 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -76.31 -52.87 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.541 ' CZ2' HD13 ' B' ' 633' ' ' ILE . 28.1 t-105 -55.97 -46.63 78.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -60.99 -57.97 10.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -54.28 -38.86 66.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 64' ' ' LYS . . . -67.47 -54.51 19.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.754 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -51.9 -39.82 59.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.84 -55.83 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -70.2 -28.57 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 1.001 HD22 HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -63.61 -39.08 93.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.754 HG23 ' O ' ' B' ' 663' ' ' MET . 22.1 t -73.59 -51.26 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -57.73 -32.14 67.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.35 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -73.81 -32.31 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -69.27 -22.42 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 51.6 ttp -64.66 -42.67 95.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.81 0.57 43.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.774 -179.757 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 7.8 t -58.17 -23.66 56.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . . . . . . . . . 1.2 m -75.79 -5.56 46.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -54.0 -27.27 30.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -55.53 -25.78 39.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . 0.798 ' HB1' HD21 ' B' ' 613' ' ' LEU . . . -51.6 -30.0 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.063 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.35 -49.36 71.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 86.9 m -74.06 -24.0 59.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 1.7 ttm -51.87 -30.23 23.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.28 -27.57 36.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.067 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 56.29 28.21 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.13 -49.04 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -57.48 -47.13 82.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -29.17 69.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -76.38 72.17 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . . . . . . . . . 10.0 t -120.85 -34.01 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -91.27 -23.19 20.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.75 -60.83 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -62.4 -24.6 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -84.41 -25.23 29.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -58.67 6.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 54.82 88.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 69.94 147.34 0.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.504 -179.851 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.822 0.344 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -141.68 110.62 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.2 26.09 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.14 145.6 25.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 58.45 56.39 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -112.75 -45.53 3.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -123.64 49.92 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -100.53 152.46 37.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 83.72 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -88.78 -35.67 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.988 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.63 69.4 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 m -114.15 -25.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . . . -152.43 49.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -31.58 71.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -54.94 -55.96 24.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 p -178.61 100.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . . . -102.55 -34.6 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.029 179.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HB3' ' HB1' ' A' ' 79' ' ' ALA . 5.3 t80 -77.81 -46.88 20.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.43 -38.92 56.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.11 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -47.03 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 69' ' ' LEU . . . -56.03 -47.18 78.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.79 -26.91 26.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.31 -30.01 30.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -58.92 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.839 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -23.86 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -72.86 -49.49 29.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 78.9 m -55.41 -51.79 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.601 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 3.2 mp -65.38 -47.42 87.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.91 -46.1 91.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -73.0 -53.11 12.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.94 -27.72 53.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.03 -45.15 67.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.66 -47.94 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.83 -36.02 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.51 -25.81 60.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.3 mtt -78.72 -59.46 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -55.74 -34.02 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.39 -38.21 60.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.68 -9.59 59.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.85 -57.12 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 49.26 51.31 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 65.21 45.6 2.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.837 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -142.09 -68.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.45 -51.44 4.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 -179.43 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 t 62.39 100.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.29 99.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.778 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.08 -50.01 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.18 -35.76 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -62.2 -34.32 76.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -70.79 -54.03 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.42 -39.75 57.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.26 -34.14 55.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -66.46 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.17 -30.54 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -67.43 -35.57 79.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.601 ' CZ ' HG23 ' A' ' 29' ' ' ILE . 83.0 t80 -69.45 -54.89 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.53 -35.01 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.94 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.3 -37.16 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.21 -31.62 21.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.07 86.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.543 ' HD2' HD11 ' A' ' 68' ' ' LEU . 5.7 tmtp? -54.47 -52.59 61.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.991 HG21 HD22 ' B' ' 666' ' ' LEU . 14.0 t -63.14 -52.69 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -31.89 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 71' ' ' VAL . 53.3 m -84.71 -27.68 26.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.543 HD11 ' HD2' ' A' ' 64' ' ' LYS . 33.4 mt -73.73 -36.9 65.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 22' ' ' ALA . 3.0 mm? -55.36 -55.08 35.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -55.99 -43.32 77.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 67' ' ' THR . 60.6 t -65.84 -32.97 60.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.28 -50.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.609 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 37.2 mt-30 -71.93 -39.5 69.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.65 63.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -62.66 -39.63 94.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.3 mt -70.88 -25.93 63.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.37 -74.57 1.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.0 -45.18 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.625 ' HB1' ' HB3' ' A' ' 18' ' ' PHE . . . -52.07 -31.99 32.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 73' ' ' GLN . . . -104.68 -170.04 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.63 -106.96 2.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t -161.5 173.69 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.316 . . . . 0.0 111.189 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.574 ' HE1' ' HB3' ' A' ' 85' ' ' ALA . 6.7 p90 -145.59 163.7 33.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.6 t -136.27 78.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.574 ' HB3' ' HE1' ' A' ' 83' ' ' TYR . . . -103.85 41.99 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.871 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.59 -29.48 62.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.4 -179.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.91 179.25 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.151 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.3 -34.45 59.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.57 -27.87 28.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.73 -58.84 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.1 t -84.12 119.18 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.09 172.73 13.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -156.19 -172.81 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.18 165.7 25.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.29 -150.63 6.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.852 -179.866 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 601' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 602' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.28 71.41 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 603' ' ' SER . . . . . . . . . . . . . 16.4 p -115.97 -24.25 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 604' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -89.71 10.84 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 605' ' ' ILE . . . . . . . . . . . . . 29.0 mm -79.19 -69.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 606' ' ' MET . . . . . . . . . . . . . 1.4 ptp -161.71 49.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 607' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -122.73 108.92 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 608' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.47 -71.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 609' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -130.11 160.56 64.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.697 0.76 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 610' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -22.69 31.74 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 611' ' ' ALA . . . . . . . . . . . . . . . -69.85 -29.2 66.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 612' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -33.86 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 613' ' ' LEU . . . . . 0.505 HD21 HG23 ' B' ' 676' ' ' THR . 0.2 OUTLIER -72.18 178.03 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 614' ' ' GLY . . . . . . . . . . . . . . . -54.54 176.08 0.45 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 615' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.18 145.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -177.32 174.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 617' ' ' GLY . . . . . . . . . . . . . . . -110.06 -141.63 9.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.448 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 618' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.24 -75.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 619' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -26.85 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 620' ' ' ALA . . . . . . . . . . . . . . . -53.11 -31.86 44.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 621' ' ' GLY . . . . . . . . . . . . . . . -54.56 -49.75 59.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 622' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -70.5 -47.52 60.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.383 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . 0.659 ' HA ' HD23 ' B' ' 626' ' ' LEU . . . -52.48 -33.23 43.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 624' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.21 73.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 625' ' ' THR . . . . . . . . . . . . . 98.4 m -66.78 -29.08 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.11 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 626' ' ' LEU . . . . . 0.659 HD23 ' HA ' ' B' ' 623' ' ' ALA . 3.9 mm? -59.91 -56.91 15.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 627' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.12 -41.56 81.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 628' ' ' SER . . . . . . . . . . . . . 36.0 m -59.47 -46.39 88.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 629' ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.29 -43.7 55.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 630' ' ' GLY . . . . . . . . . . . . . . . -51.86 -45.14 55.9 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 631' ' ' ALA . . . . . . . . . . . . . . . -54.39 -37.93 65.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.717 0.294 . . . . 0.0 111.011 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 632' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -55.77 -35.84 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 633' ' ' ILE . . . . . 0.425 HD12 ' CZ2' ' B' ' 659' ' ' TRP . 87.7 mt -73.45 -36.19 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 634' ' ' ALA . . . . . . . . . . . . . . . -64.33 -53.29 51.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 635' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.21 -40.4 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 636' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.19 -36.81 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 637' ' ' GLN . . . . . 0.665 HE21 ' NE2' ' B' ' 641' ' ' GLN . 0.0 OUTLIER -73.63 -31.08 63.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 638' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.49 61.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 639' ' ' ALA . . . . . . . . . . . . . . . -83.83 -23.53 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 640' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 34.01 3.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 641' ' ' GLN . . . . . 0.665 ' NE2' HE21 ' B' ' 637' ' ' GLN . 8.1 mm-40 -65.25 -45.34 84.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 3.3 p -55.7 -25.99 42.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 643' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.21 29.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 644' ' ' TRP . . . . . . . . . . . . . 24.2 t-105 -52.34 149.93 5.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 645' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -98.91 -63.0 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.24 -19.47 54.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 647' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -86.66 -26.27 24.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 7.6 p -67.98 -30.59 69.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . 172.02 -114.89 0.55 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 650' ' ' ILE . . . . . 0.5 ' HB ' HG11 ' A' ' 71' ' ' VAL . 54.9 mt -53.77 142.86 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 651' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.4 167.48 11.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 652' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -61.45 -41.12 96.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 653' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.58 -42.82 58.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 654' ' ' ALA . . . . . 0.626 ' HB1' HE21 ' B' ' 658' ' ' GLN . . . -64.48 -41.79 96.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 655' ' ' TRP . . . . . . . . . . . . . 37.5 t90 -62.69 -41.43 99.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 656' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -53.88 -55.84 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 657' ' ' ALA . . . . . . . . . . . . . . . -70.14 -39.6 75.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 658' ' ' GLN . . . . . 0.626 HE21 ' HB1' ' B' ' 654' ' ' ALA . 37.7 mt-30 -56.05 -52.84 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 659' ' ' TRP . . . . . 0.485 ' HZ3' HD22 ' A' ' 69' ' ' LEU . 31.6 t-105 -60.9 -47.82 84.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 660' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 661' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -57.72 -51.17 70.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 662' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.53 25.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 663' ' ' MET . . . . . 0.74 ' O ' HG23 ' B' ' 667' ' ' VAL . 0.0 OUTLIER -56.66 -42.24 78.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 664' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.15 -56.05 17.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 665' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -29.82 66.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.991 HD22 HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -63.57 -42.1 98.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.874 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 667' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 663' ' ' MET . 40.2 t -66.37 -51.21 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 668' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.89 -35.07 77.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 58' ' ' PHE . . . -56.13 -25.18 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 670' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -85.52 -57.8 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 671' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -58.83 -23.68 60.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 672' ' ' ALA . . . . . . . . . . . . . . . -52.83 -40.18 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 673' ' ' MET . . . . . . . . . . . . . 24.2 ttp -52.46 -34.83 50.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 674' ' ' SER . . . . . . . . . . . . . 15.7 m -82.65 -26.51 32.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 675' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -49.92 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 676' ' ' THR . . . . . 0.505 HG23 HD21 ' B' ' 613' ' ' LEU . 0.0 OUTLIER -74.92 -6.51 49.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.193 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 677' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -51.55 -49.33 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 678' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -81.64 -17.14 49.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.5 -22.07 41.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 680' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -57.34 -70.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 681' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.88 -34.61 63.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 682' ' ' MET . . . . . . . . . . . . . 41.7 ttp -52.04 -29.95 23.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 683' ' ' ALA . . . . . . . . . . . . . . . -54.86 -26.3 34.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 684' ' ' MET . . . . . . . . . . . . . 22.5 mtp -51.93 151.57 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 685' ' ' MET . . . . . . . . . . . . . 4.2 mtm -69.22 -29.37 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 686' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.98 20.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 687' ' ' ARG . . . . . 0.415 ' HB3' HG23 ' B' ' 689' ' ' THR . 5.3 mpt_? -67.47 -54.82 16.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 688' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 41.7 40.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 689' ' ' THR . . . . . 0.415 HG23 ' HB3' ' B' ' 687' ' ' ARG . 43.3 p -71.55 -49.71 38.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 690' ' ' ALA . . . . . . . . . . . . . . . -66.25 -27.9 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 691' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.14 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -57.94 -24.6 58.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 693' ' ' ALA . . . . . . . . . . . . . . . -85.91 -25.07 26.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 126.88 28.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 695' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -117.6 129.58 55.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 696' ' ' GLY . . . . . . . . . . . . . . . 106.12 -158.99 15.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 697' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.872 . . . . . . . . 0 0 . 1 stop_ save_